2-(1-aminocyclohexyl)acetonitrile

C8H14N2 — CID 10630560

IUPAC2-(1-aminocyclohexyl)acetonitrile
SMILESN#CCC1(N)CCCCC1
InChIInChI=1S/C8H14N2/c9-7-6-8(10)4-2-1-3-5-8/h1-6,10H2
InChIKeyYBMGRNAPKVLZEB-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.56
Rot. Bonds1

About 2-(1-aminocyclohexyl)acetonitrile

2-(1-aminocyclohexyl)acetonitrile (PubChem CID 10630560) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)acetonitrile.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)acetonitrile
PubChem CID10630560
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-(1-aminocyclohexyl)acetonitrile
SMILESN#CCC1(N)CCCCC1
InChIInChI=1S/C8H14N2/c9-7-6-8(10)4-2-1-3-5-8/h1-6,10H2
InChIKeyYBMGRNAPKVLZEB-UHFFFAOYSA-N
XLogP1.56
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-aminocyclohexyl)acetonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)acetonitrile?
The IUPAC name of 2-(1-aminocyclohexyl)acetonitrile (CID 10630560) is 2-(1-aminocyclohexyl)acetonitrile.
What is the SMILES notation for 2-(1-aminocyclohexyl)acetonitrile?
The canonical SMILES for 2-(1-aminocyclohexyl)acetonitrile is N#CCC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)acetonitrile?
The InChIKey is YBMGRNAPKVLZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c9-7-6-8(10)4-2-1-3-5-8/h1-6,10H2.
What are the key properties of 2-(1-aminocyclohexyl)acetonitrile?
2-(1-aminocyclohexyl)acetonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)acetonitrile is sourced from PubChem (CID 10630560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).