2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile

C11H18N2 — CID 62742568

IUPAC2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCC1CC1
InChIInChI=1S/C11H18N2/c12-7-10-3-1-2-4-11(10)13-8-9-5-6-9/h9-11,13H,1-6,8H2
InChIKeyWQRURELTXYLTKC-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.07
Rot. Bonds3

About 2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile

2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile (PubChem CID 62742568) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
PubChem CID62742568
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCC1CC1
InChIInChI=1S/C11H18N2/c12-7-10-3-1-2-4-11(10)13-8-9-5-6-9/h9-11,13H,1-6,8H2
InChIKeyWQRURELTXYLTKC-UHFFFAOYSA-N
XLogP2.07
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile 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-(cyclopropylmethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile (CID 62742568) is 2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile is N#CC1CCCCC1NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile?
The InChIKey is WQRURELTXYLTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c12-7-10-3-1-2-4-11(10)13-8-9-5-6-9/h9-11,13H,1-6,8H2.
What are the key properties of 2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile?
2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile has a molecular weight of 178.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 62742568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).