2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile

C12H22N2 — CID 115254419

IUPAC2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)CN(C)C1CCCC1
InChIInChI=1S/C12H22N2/c1-10(2)11(8-13)9-14(3)12-6-4-5-7-12/h10-12H,4-7,9H2,1-3H3
InChIKeyJRYWSRZOWJEWJI-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.66
Rot. Bonds4

About 2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile

2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile (PubChem CID 115254419) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile.

Molecular Properties

Compound Name2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile
PubChem CID115254419
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)CN(C)C1CCCC1
InChIInChI=1S/C12H22N2/c1-10(2)11(8-13)9-14(3)12-6-4-5-7-12/h10-12H,4-7,9H2,1-3H3
InChIKeyJRYWSRZOWJEWJI-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

N-methyl-N-(2-methylpropyl)cyclopentanamine
CID 89147388
2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile
CID 115254710
(2S)-1-N-cyclobutyl-1-N-methylpropane-1,2-diamine
CID 104873486
N'-cyclopentyl-N',2-dimethylpropane-1,3-diamine
CID 43266901
2-[2-[cyclopentyl(methyl)amino]ethylamino]propanenitrile
CID 63318071
1,3-bis[cyclooctyl(methyl)amino]propan-2-ol
CID 130316337
methane;methanol;N-methyl-N-(2-methylpropyl)cyclobutanamine
CID 155582647
2-(cyclobutylmethyl)-3-methylbutanenitrile
CID 116931782
2-methyl-3-[methyl-(4-oxocyclohexyl)amino]propanenitrile
CID 114762118
N-cycloheptyl-N,2-dimethylbutane-1,4-diamine
CID 80544341
1-[cyclooctyl(methyl)amino]butan-2-ol
CID 130316324
N'-cyclopentyl-1-cyclopropyl-N'-methylethane-1,2-diamine
CID 63914724

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile?
The IUPAC name of 2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile (CID 115254419) is 2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile.
What is the SMILES notation for 2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile?
The canonical SMILES for 2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile is CC(C)C(C#N)CN(C)C1CCCC1.
What is the InChIKey of 2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile?
The InChIKey is JRYWSRZOWJEWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)11(8-13)9-14(3)12-6-4-5-7-12/h10-12H,4-7,9H2,1-3H3.
What are the key properties of 2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile?
2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile 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-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile is sourced from PubChem (CID 115254419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).