4-[cyclopentylmethyl(methyl)amino]butanenitrile

C11H20N2 — CID 62060389

IUPAC4-[cyclopentylmethyl(methyl)amino]butanenitrile
SMILESCN(CCCC#N)CC1CCCC1
InChIInChI=1S/C11H20N2/c1-13(9-5-4-8-12)10-11-6-2-3-7-11/h11H,2-7,9-10H2,1H3
InChIKeyFXUXTTDCADUTHU-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.41
Rot. Bonds5

About 4-[cyclopentylmethyl(methyl)amino]butanenitrile

4-[cyclopentylmethyl(methyl)amino]butanenitrile (PubChem CID 62060389) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-[cyclopentylmethyl(methyl)amino]butanenitrile.

Molecular Properties

Compound Name4-[cyclopentylmethyl(methyl)amino]butanenitrile
PubChem CID62060389
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-[cyclopentylmethyl(methyl)amino]butanenitrile
SMILESCN(CCCC#N)CC1CCCC1
InChIInChI=1S/C11H20N2/c1-13(9-5-4-8-12)10-11-6-2-3-7-11/h11H,2-7,9-10H2,1H3
InChIKeyFXUXTTDCADUTHU-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[cyclopentylmethyl(methyl)amino]butanenitrile 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

4-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]butanenitrile
CID 95339513
2-[cyclohexylmethyl(methyl)amino]acetonitrile
CID 60750592
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
N'-(cyclopentylmethyl)-N'-methylheptane-1,7-diamine
CID 63656557
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanenitrile
CID 115277934
N-[3-[cyclopentylmethyl(methyl)amino]propyl]-N-methylacetamide
CID 156687038
4-[methyl-(2-methylcyclohexyl)amino]butanenitrile
CID 60967457
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
3-[methyl(oxan-2-ylmethyl)amino]propanenitrile
CID 43403608
5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803389
N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55151127

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentylmethyl(methyl)amino]butanenitrile?
The IUPAC name of 4-[cyclopentylmethyl(methyl)amino]butanenitrile (CID 62060389) is 4-[cyclopentylmethyl(methyl)amino]butanenitrile.
What is the SMILES notation for 4-[cyclopentylmethyl(methyl)amino]butanenitrile?
The canonical SMILES for 4-[cyclopentylmethyl(methyl)amino]butanenitrile is CN(CCCC#N)CC1CCCC1.
What is the InChIKey of 4-[cyclopentylmethyl(methyl)amino]butanenitrile?
The InChIKey is FXUXTTDCADUTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-13(9-5-4-8-12)10-11-6-2-3-7-11/h11H,2-7,9-10H2,1H3.
What are the key properties of 4-[cyclopentylmethyl(methyl)amino]butanenitrile?
4-[cyclopentylmethyl(methyl)amino]butanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentylmethyl(methyl)amino]butanenitrile is sourced from PubChem (CID 62060389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).