3-[cyclopentyl(methyl)amino]pentanenitrile

C11H20N2 — CID 43267163

IUPAC3-[cyclopentyl(methyl)amino]pentanenitrile
SMILESCCC(CC#N)N(C)C1CCCC1
InChIInChI=1S/C11H20N2/c1-3-10(8-9-12)13(2)11-6-4-5-7-11/h10-11H,3-8H2,1-2H3
InChIKeyQHLGTRDQOWHDHY-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.55
Rot. Bonds4

About 3-[cyclopentyl(methyl)amino]pentanenitrile

3-[cyclopentyl(methyl)amino]pentanenitrile (PubChem CID 43267163) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]pentanenitrile.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)amino]pentanenitrile
PubChem CID43267163
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-[cyclopentyl(methyl)amino]pentanenitrile
SMILESCCC(CC#N)N(C)C1CCCC1
InChIInChI=1S/C11H20N2/c1-3-10(8-9-12)13(2)11-6-4-5-7-11/h10-11H,3-8H2,1-2H3
InChIKeyQHLGTRDQOWHDHY-UHFFFAOYSA-N
XLogP2.55
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[cyclopentyl(methyl)amino]pentanenitrile 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

3-[azetidin-3-yl(methyl)amino]pentanenitrile
CID 66182687
3-[methyl(pentan-3-yl)amino]pentanenitrile
CID 43571085
1-[cyclopentyl(methyl)amino]propan-1-ol
CID 175919705
3-[piperidin-4-yl(propyl)amino]pentanenitrile
CID 60805985
3-[piperidin-3-yl(propyl)amino]pentanenitrile
CID 63636452
3-[cyclopropyl(3-methylbutyl)amino]pentanenitrile
CID 78974209
3-[[(1S,2S)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 102732133
3-[[(1R,2R)-2-hydroxycyclohexyl]-methylamino]butanenitrile
CID 104954562
3-[(2-hydroxycyclopentyl)-methylamino]butanenitrile
CID 63223531
3-cyclopentylpentanenitrile;ethane
CID 155599188
ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane
CID 142239228
3-[cyclopropyl(pentan-3-yl)amino]propanenitrile
CID 112733986

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]pentanenitrile?
The IUPAC name of 3-[cyclopentyl(methyl)amino]pentanenitrile (CID 43267163) is 3-[cyclopentyl(methyl)amino]pentanenitrile.
What is the SMILES notation for 3-[cyclopentyl(methyl)amino]pentanenitrile?
The canonical SMILES for 3-[cyclopentyl(methyl)amino]pentanenitrile is CCC(CC#N)N(C)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(methyl)amino]pentanenitrile?
The InChIKey is QHLGTRDQOWHDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-10(8-9-12)13(2)11-6-4-5-7-11/h10-11H,3-8H2,1-2H3.
What are the key properties of 3-[cyclopentyl(methyl)amino]pentanenitrile?
3-[cyclopentyl(methyl)amino]pentanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)amino]pentanenitrile is sourced from PubChem (CID 43267163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).