2-[cyclohexylmethyl(methyl)amino]acetonitrile

C10H18N2 — CID 60750592

IUPAC2-[cyclohexylmethyl(methyl)amino]acetonitrile
SMILESCN(CC#N)CC1CCCCC1
InChIInChI=1S/C10H18N2/c1-12(8-7-11)9-10-5-3-2-4-6-10/h10H,2-6,8-9H2,1H3
InChIKeySHIXOHBMAVYSRY-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds3

About 2-[cyclohexylmethyl(methyl)amino]acetonitrile

2-[cyclohexylmethyl(methyl)amino]acetonitrile (PubChem CID 60750592) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(methyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[cyclohexylmethyl(methyl)amino]acetonitrile
PubChem CID60750592
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-[cyclohexylmethyl(methyl)amino]acetonitrile
SMILESCN(CC#N)CC1CCCCC1
InChIInChI=1S/C10H18N2/c1-12(8-7-11)9-10-5-3-2-4-6-10/h10H,2-6,8-9H2,1H3
InChIKeySHIXOHBMAVYSRY-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

4-[cyclopentylmethyl(methyl)amino]butanenitrile
CID 62060389
1-[[cyclopentylmethyl(methyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242434
N-(cyclobutylmethyl)-N-methylprop-2-yn-1-amine
CID 62859751
1-cycloheptyl-N,N-dimethylmethanamine
CID 58845214
N-(chloromethyl)-1-cyclopentyl-N-methylmethanamine
CID 115263271
1-cyano-N-(cyclohexylmethyl)-N-methylformamide
CID 115172422
3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63913144
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
1-[cyclobutylmethyl(methyl)amino]cyclopropane-1-carbonitrile
CID 164649621
N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55151127
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-cyclopentyl-N-methylmethanamine
CID 63631821

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(methyl)amino]acetonitrile?
The IUPAC name of 2-[cyclohexylmethyl(methyl)amino]acetonitrile (CID 60750592) is 2-[cyclohexylmethyl(methyl)amino]acetonitrile.
What is the SMILES notation for 2-[cyclohexylmethyl(methyl)amino]acetonitrile?
The canonical SMILES for 2-[cyclohexylmethyl(methyl)amino]acetonitrile is CN(CC#N)CC1CCCCC1.
What is the InChIKey of 2-[cyclohexylmethyl(methyl)amino]acetonitrile?
The InChIKey is SHIXOHBMAVYSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-12(8-7-11)9-10-5-3-2-4-6-10/h10H,2-6,8-9H2,1H3.
What are the key properties of 2-[cyclohexylmethyl(methyl)amino]acetonitrile?
2-[cyclohexylmethyl(methyl)amino]acetonitrile has a molecular weight of 166.27 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 2-[cyclohexylmethyl(methyl)amino]acetonitrile is sourced from PubChem (CID 60750592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).