2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile

C12H21N — CID 130834446

IUPAC2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile
SMILESCCCC(C)C1(C#N)CCCC1C
InChIInChI=1S/C12H21N/c1-4-6-10(2)12(9-13)8-5-7-11(12)3/h10-11H,4-8H2,1-3H3
InChIKeyDVKOUILXWGVLED-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.75
Rot. Bonds3

About 2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile

2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile (PubChem CID 130834446) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile
PubChem CID130834446
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile
SMILESCCCC(C)C1(C#N)CCCC1C
InChIInChI=1S/C12H21N/c1-4-6-10(2)12(9-13)8-5-7-11(12)3/h10-11H,4-8H2,1-3H3
InChIKeyDVKOUILXWGVLED-UHFFFAOYSA-N
XLogP3.75
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-pentan-2-ylbicyclo[2.2.1]heptane-2-carbonitrile
CID 130514472
2-methyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892270
1-pentan-2-ylbicyclo[3.1.0]hexane
CID 147905312
1,2,2,3-tetramethyl-1-pentan-2-ylcyclopentane
CID 123500106
1,2-dimethyl-1-pentan-2-ylcyclopropane
CID 91541433
1-(butan-2-ylamino)-2-methylcyclohexane-1-carbonitrile
CID 61023996
2,3-dimethyl-6a-pentan-2-yl-1-propan-2-yl-2,3,3a,4,5,6-hexahydro-1H-pentalene
CID 23571929
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
2,5-dimethyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892414
2-(4-hydroxy-3-methylpiperidin-4-yl)pentanenitrile
CID 114502219
1-(1,3-dihydroxybutyl)-2,2,6-trimethylcyclohexane-1-carbonitrile
CID 145161494
1-(1-hydroxypentyl)-3-methylcyclohexane-1-carbonitrile
CID 79133044

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile?
The IUPAC name of 2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile (CID 130834446) is 2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile?
The canonical SMILES for 2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile is CCCC(C)C1(C#N)CCCC1C.
What is the InChIKey of 2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile?
The InChIKey is DVKOUILXWGVLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-6-10(2)12(9-13)8-5-7-11(12)3/h10-11H,4-8H2,1-3H3.
What are the key properties of 2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile?
2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile has a molecular weight of 179.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pentan-2-ylcyclopentane-1-carbonitrile is sourced from PubChem (CID 130834446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).