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CAS 2361644-19-9 5-Azaspiro[3.5]nonan-8-amine, 5-(phenylmethyl)- molecular structure lightbox
CAS RN: 2361644-19-9

5-Azaspiro[3.5]nonan-8-amine, 5-(phenylmethyl)-

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Batchno.20250105 100mg Out of stock Inquiry
Batchno.20250704 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS2361644-19-9
  • Purity/Analytical Methods: >99.0%
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2361644-19-9 / 5-benzyl-5-azaspiro[3.5]nonan-8-amine

Standard CAS: 2361644-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2361644-19-9
Multi CAS
No
Molecular Formula
C15H22N2
Molecular Weight
230.350000
Exact Mass
230.178299
SMILES
C1CC2(C1)CC(CCN2CC3=CC=CC=C3)N
InChI
InChI=1S/C15H22N2/c16-14-7-10-17(15(11-14)8-4-9-15)12-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16H2
InChIKey
KGFHESRNJAEHDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.64
TPSA
29.26

LogP / Solubility

WLOGP
2.53
MLOGP
2.23
XLogP3
2.1
Consensus LogP
2.29
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly 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)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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