1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile

C13H21N — CID 126983354

IUPAC1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile
SMILESCC1(CC2(C#N)CCCC2)CCCC1
InChIInChI=1S/C13H21N/c1-12(6-2-3-7-12)10-13(11-14)8-4-5-9-13/h2-10H2,1H3
InChIKeyLHXJYYWJWRQNTC-UHFFFAOYSA-N
MW191.32 g/mol
LogP4.04
Rot. Bonds2

About 1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile

1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile (PubChem CID 126983354) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile
PubChem CID126983354
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile
SMILESCC1(CC2(C#N)CCCC2)CCCC1
InChIInChI=1S/C13H21N/c1-12(6-2-3-7-12)10-13(11-14)8-4-5-9-13/h2-10H2,1H3
InChIKeyLHXJYYWJWRQNTC-UHFFFAOYSA-N
XLogP4.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethylcyclopentane-1-carbonitrile
CID 12859571
1-(trimethylsilylmethyl)cyclopentane-1-carbonitrile
CID 130513551
2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile
CID 130601880
1-(propylaminomethyl)cyclopentane-1-carbonitrile
CID 166556871
1-(2-hydroxyethyl)cycloheptane-1-carbonitrile
CID 130514134
ethane;1-(2-ethylbutyl)cyclohexane-1-carbonitrile
CID 144507153
1-dodecylcycloheptane-1-carbonitrile
CID 65392089
1-(cyclopropylmethyl)cyclohexane-1-carbonitrile
CID 126977193
1-(2-methylidenebutyl)cyclohexane-1-carbonitrile
CID 130513478
1-(2-ethoxyethyl)cycloheptane-1-carbonitrile
CID 65390901
1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile
CID 10042546
1-(4-methoxybutyl)cyclooctane-1-carbonitrile
CID 104650536

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile (CID 126983354) is 1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile is CC1(CC2(C#N)CCCC2)CCCC1.
What is the InChIKey of 1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile?
The InChIKey is LHXJYYWJWRQNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-12(6-2-3-7-12)10-13(11-14)8-4-5-9-13/h2-10H2,1H3.
What are the key properties of 1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile?
1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile has a molecular weight of 191.32 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylcyclopentyl)methyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 126983354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).