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

C13H24N2 — CID 116913834

IUPAC2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)C(C1CCCC1)N(C)C
InChIInChI=1S/C13H24N2/c1-10(2)12(9-14)13(15(3)4)11-7-5-6-8-11/h10-13H,5-8H2,1-4H3
InChIKeyNFBIEWZIGROECH-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.90
Rot. Bonds4

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

2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile (PubChem CID 116913834) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile.

Molecular Properties

Compound Name2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile
PubChem CID116913834
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile
SMILESCC(C)C(C#N)C(C1CCCC1)N(C)C
InChIInChI=1S/C13H24N2/c1-10(2)12(9-14)13(15(3)4)11-7-5-6-8-11/h10-13H,5-8H2,1-4H3
InChIKeyNFBIEWZIGROECH-UHFFFAOYSA-N
XLogP2.90
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclobutyl(dimethylamino)methyl]-3-methylbutanenitrile
CID 116913843
2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile
CID 115254419
1-cyclopentyl-N',N'-dimethylmethanediamine
CID 116909168
cyclopentyl(dimethylamino)methanol
CID 116909645
(3R)-3-cyclopentylbutanenitrile
CID 142587124
3-amino-1-cyclobutyl-1-(dimethylamino)propan-2-ol
CID 116911788
2-cyclobutyl-3-fluorobutanenitrile
CID 105428237
[(2R)-3-methylbutan-2-yl]cyclopentane
CID 59954478
3-methyl-2-[methylamino-(1-methylpiperidin-3-yl)methyl]butanenitrile
CID 116960745
1-cycloheptylpropane-1,2-diol
CID 103452573
2-cyclohexylpropanedinitrile
CID 11171058
carbanide;cyclopentane;(1S)-1-cyclopentyl-N,N-dimethylethanamine;iron(2+)
CID 137319736

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile?
The IUPAC name of 2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile (CID 116913834) is 2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile.
What is the SMILES notation for 2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile?
The canonical SMILES for 2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile is CC(C)C(C#N)C(C1CCCC1)N(C)C.
What is the InChIKey of 2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile?
The InChIKey is NFBIEWZIGROECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-10(2)12(9-14)13(15(3)4)11-7-5-6-8-11/h10-13H,5-8H2,1-4H3.
What are the key properties of 2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile?
2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile has a molecular weight of 208.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(dimethylamino)methyl]-3-methylbutanenitrile is sourced from PubChem (CID 116913834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).