2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile

C12H22N2 — CID 43295782

IUPAC2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile
SMILESCCC(C)CN(C)C1CCCC1C#N
InChIInChI=1S/C12H22N2/c1-4-10(2)9-14(3)12-7-5-6-11(12)8-13/h10-12H,4-7,9H2,1-3H3
InChIKeyIDPUWSXJMZIKQF-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.66
Rot. Bonds4

About 2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile

2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile (PubChem CID 43295782) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile
PubChem CID43295782
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile
SMILESCCC(C)CN(C)C1CCCC1C#N
InChIInChI=1S/C12H22N2/c1-4-10(2)9-14(3)12-7-5-6-11(12)8-13/h10-12H,4-7,9H2,1-3H3
InChIKeyIDPUWSXJMZIKQF-UHFFFAOYSA-N
XLogP2.66
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(3-methylbutyl)amino]cyclopentane-1-carbonitrile
CID 61430050
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile
CID 103188900
2-N-methyl-2-N-(2-methylbutyl)cyclododecane-1,2-diamine
CID 43295671
2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile
CID 60892330
2-[methyl(2-methylsulfanylethyl)amino]cyclohexane-1-carbonitrile
CID 112659563
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 43295431
2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide
CID 54946712
2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide
CID 61451215
2-[methyl(2-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 63067749
2-[cyclopropyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 43291906
2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile
CID 55005415
2-[methyl(2-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 63067917

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile (CID 43295782) is 2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile is CCC(C)CN(C)C1CCCC1C#N.
What is the InChIKey of 2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is IDPUWSXJMZIKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-10(2)9-14(3)12-7-5-6-11(12)8-13/h10-12H,4-7,9H2,1-3H3.
What are the key properties of 2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile?
2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 194.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 43295782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).