6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile

C11H18N2 — CID 85157136

IUPAC6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile
SMILESCCN(CC)C1(C#N)C2CCCC21
InChIInChI=1S/C11H18N2/c1-3-13(4-2)11(8-12)9-6-5-7-10(9)11/h9-10H,3-7H2,1-2H3
InChIKeyOCKFZXFMOQRXSP-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.02
Rot. Bonds3

About 6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile

6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 85157136) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile.

Molecular Properties

Compound Name6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile
PubChem CID85157136
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile
SMILESCCN(CC)C1(C#N)C2CCCC21
InChIInChI=1S/C11H18N2/c1-3-13(4-2)11(8-12)9-6-5-7-10(9)11/h9-10H,3-7H2,1-2H3
InChIKeyOCKFZXFMOQRXSP-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(Diethylamino)cyclohexanecarbonitrile
CID 12480915
1-(Dipropylamino)cyclohexane-1-carbonitrile
CID 15056991
1-[Ethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 21678968
1-(4-Methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 14650555
1-(3-Methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 15056987
1-(3,5-Dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 15056988
1-(Diethylamino)cyclopentanecarbonitrile
CID 24276761
1-[Ethyl(methyl)amino]cyclopentanecarbonitrile
CID 51342199
3-[Cyclohexyl(methyl)amino]cyclopentane-1-carbonitrile
CID 66607042
3-[Cyclohexyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 66607447
1-[Di(propan-2-yl)amino]cyclohexane-1-carbonitrile
CID 67452483
1-[Bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile
CID 67455046

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile?
The IUPAC name of 6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile (CID 85157136) is 6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile.
What is the SMILES notation for 6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile?
The canonical SMILES for 6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile is CCN(CC)C1(C#N)C2CCCC21.
What is the InChIKey of 6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile?
The InChIKey is OCKFZXFMOQRXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-13(4-2)11(8-12)9-6-5-7-10(9)11/h9-10H,3-7H2,1-2H3.
What are the key properties of 6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile?
6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 178.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)bicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 85157136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).