2-amino-2-cyclohexylpropanenitrile;hydrochloride

C9H17ClN2 — CID 20535661

IUPAC2-amino-2-cyclohexylpropanenitrile;hydrochloride
SMILESCC(N)(C#N)C1CCCCC1.Cl
InChIInChI=1S/C9H16N2.ClH/c1-9(11,7-10)8-5-3-2-4-6-8;/h8H,2-6,11H2,1H3;1H
InChIKeyKSKFLKFIYHQHJW-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.23
Rot. Bonds1

About 2-amino-2-cyclohexylpropanenitrile;hydrochloride

2-amino-2-cyclohexylpropanenitrile;hydrochloride (PubChem CID 20535661) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is 2-amino-2-cyclohexylpropanenitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-2-cyclohexylpropanenitrile;hydrochloride
PubChem CID20535661
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name2-amino-2-cyclohexylpropanenitrile;hydrochloride
SMILESCC(N)(C#N)C1CCCCC1.Cl
InChIInChI=1S/C9H16N2.ClH/c1-9(11,7-10)8-5-3-2-4-6-8;/h8H,2-6,11H2,1H3;1H
InChIKeyKSKFLKFIYHQHJW-UHFFFAOYSA-N
XLogP2.23
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-cyclohexylpropanenitrile;hydrochloride 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

2-Cyclohexylpropan-2-amine hydrochloride
CID 47002866
1-Amino-4-methylcyclohexane-1-carbonitrile hydrochloride
CID 74889765
1-Amino-4-tert-butylcyclohexane-1-carbonitrile hydrochloride
CID 75413886
2-Cyclohexylpropan-2-amine
CID 22376970
2-Amino-2-butylhexanenitrile
CID 24813765
2-Cyclohexylpropan-2-ylazanium chloride
CID 134855321
2-(1-Aminocyclohexyl)acetonitrile
CID 10630560
3-Amino-3-methylcyclohexane-1-carbonitrile
CID 11116140
1-Amino-3-methylcyclohexane-1-carbonitrile
CID 16782936
1-Amino-2-methylcyclohexane-1-carbonitrile
CID 16784369
1-Amino-4-ethylcyclohexane-1-carbonitrile
CID 16787488
1-Amino-4-tert-butylcyclohexane-1-carbonitrile
CID 16793134

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexylpropanenitrile;hydrochloride?
The IUPAC name of 2-amino-2-cyclohexylpropanenitrile;hydrochloride (CID 20535661) is 2-amino-2-cyclohexylpropanenitrile;hydrochloride.
What is the SMILES notation for 2-amino-2-cyclohexylpropanenitrile;hydrochloride?
The canonical SMILES for 2-amino-2-cyclohexylpropanenitrile;hydrochloride is CC(N)(C#N)C1CCCCC1.Cl.
What is the InChIKey of 2-amino-2-cyclohexylpropanenitrile;hydrochloride?
The InChIKey is KSKFLKFIYHQHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.ClH/c1-9(11,7-10)8-5-3-2-4-6-8;/h8H,2-6,11H2,1H3;1H.
What are the key properties of 2-amino-2-cyclohexylpropanenitrile;hydrochloride?
2-amino-2-cyclohexylpropanenitrile;hydrochloride has a molecular weight of 188.70 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexylpropanenitrile;hydrochloride is sourced from PubChem (CID 20535661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).