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CAS 1083216-68-5 2-ethyl-2,8-diazaspiro[5.5]undecane(SALTDATA: FREE) molecular structure lightbox
CAS RN: 1083216-68-5

2-ethyl-2,8-diazaspiro[5.5]undecane(SALTDATA: FREE)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251229 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1083216-68-5
  • Purity/Analytical Methods: >99.0%
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1083216-68-5 / 2-ethyl-2,8-diazaspiro[5.5]undecane

2-Ethyl-2,8-diazaspiro[5.5]undecane | MFCD11894858 | SCHEMBL22663692

Standard CAS: 1083216-68-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1083216-68-5
Multi CAS
No
Molecular Formula
C11H22N2
Molecular Weight
182.310000
Exact Mass
182.178299
SMILES
CCN1CCCC2(C1)CCCNC2
InChI
InChI=1S/C11H22N2/c1-2-13-8-4-6-11(10-13)5-3-7-12-9-11/h12H,2-10H2,1H3
InChIKey
VBSFDWZWDAXBML-UHFFFAOYSA-N
Synonyms
2-Ethyl-2,8-diazaspiro[5.5]undecane MFCD11894858 SCHEMBL22663692 AKOS006346266 SB42702

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.88
TPSA
15.27

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
1.3
Consensus LogP
1.35
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-2.79

Drug-likeness / Medicinal Chemistry

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

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