2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile

C14H24N2 — CID 65480950

IUPAC2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCC1CCCC(NCC2(CC#N)CC2)C1C
InChIInChI=1S/C14H24N2/c1-11-4-3-5-13(12(11)2)16-10-14(6-7-14)8-9-15/h11-13,16H,3-8,10H2,1-2H3
InChIKeyJFUIGQQNYXPJON-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.09
Rot. Bonds4

About 2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 65480950) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID65480950
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
SMILESCC1CCCC(NCC2(CC#N)CC2)C1C
InChIInChI=1S/C14H24N2/c1-11-4-3-5-13(12(11)2)16-10-14(6-7-14)8-9-15/h11-13,16H,3-8,10H2,1-2H3
InChIKeyJFUIGQQNYXPJON-UHFFFAOYSA-N
XLogP3.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile 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-[1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropyl]acetonitrile
CID 65497545
2-[1-[[(2-methylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
CID 65480154
1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclobutan-1-ol
CID 115692717
1-[[(2,3-dimethylcyclopentyl)amino]methyl]cyclopropane-1-carbonitrile
CID 164645998
2,3-dimethyl-N-[(2-methylthiolan-2-yl)methyl]cyclohexan-1-amine
CID 80722862
N-[(1-ethylcyclopropyl)methyl]-2-methylcyclohexan-1-amine
CID 115892730
N-(cyanomethyl)-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43199293
2-[2-[(2,3-dimethylcyclohexyl)amino]ethyl]propanedinitrile
CID 175600999
2-[1-[[(4-ethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile
CID 65495614
N'-(2,3-dimethylcyclohexyl)methanediamine
CID 143582027
2-[1-(methylaminomethyl)cyclopropyl]acetonitrile
CID 65482515
1-[[[(1S,2S)-2-methylcyclopentyl]amino]methyl]cyclohexan-1-ol
CID 95377558

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile (CID 65480950) is 2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile is CC1CCCC(NCC2(CC#N)CC2)C1C.
What is the InChIKey of 2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is JFUIGQQNYXPJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-4-3-5-13(12(11)2)16-10-14(6-7-14)8-9-15/h11-13,16H,3-8,10H2,1-2H3.
What are the key properties of 2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 220.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2,3-dimethylcyclohexyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65480950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).