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CAS 1178438-03-3 1-[(cyclopropylmethyl)amino]-2-methylpropan-2-ol molecular structure lightbox
CAS RN: 1178438-03-3

1-[(cyclopropylmethyl)amino]-2-methylpropan-2-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260306 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1178438-03-3
  • Purity/Analytical Methods: >99.0%
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1178438-03-3 / 1-(cyclopropylmethylamino)-2-methylpropan-2-ol

1-[(cyclopropylmethyl)amino]-2-methylpropan-2-ol | 1-((Cyclopropylmethyl)amino)-2-methylpropan-2-ol | MFCD12764748

Standard CAS: 1178438-03-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1178438-03-3
Multi CAS
No
Molecular Formula
C8H17NO
Molecular Weight
143.230000
Exact Mass
143.131014
SMILES
CC(C)(CNCC1CC1)O
InChI
InChI=1S/C8H17NO/c1-8(2,10)6-9-5-7-3-4-7/h7,9-10H,3-6H2,1-2H3
InChIKey
VQCAXASGBNVEJQ-UHFFFAOYSA-N
Synonyms
1-[(cyclopropylmethyl)amino]-2-methylpropan-2-ol 1-((Cyclopropylmethyl)amino)-2-methylpropan-2-ol MFCD12764748 SCHEMBL18111289 AKOS010105300

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.89
TPSA
32.26

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
0.5
Consensus LogP
0.64
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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