1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile

C16H25N — CID 10042546

IUPAC1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile
SMILESC=C1CCCCC1(C)CCC1(C#N)CCCC1
InChIInChI=1S/C16H25N/c1-14-7-3-4-8-15(14,2)11-12-16(13-17)9-5-6-10-16/h1,3-12H2,2H3
InChIKeyIIGUFQFITTUYTP-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.99
Rot. Bonds3

About 1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile

1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 10042546) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile
PubChem CID10042546
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile
SMILESC=C1CCCCC1(C)CCC1(C#N)CCCC1
InChIInChI=1S/C16H25N/c1-14-7-3-4-8-15(14,2)11-12-16(13-17)9-5-6-10-16/h1,3-12H2,2H3
InChIKeyIIGUFQFITTUYTP-UHFFFAOYSA-N
XLogP4.99
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile (CID 10042546) is 1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile is C=C1CCCCC1(C)CCC1(C#N)CCCC1.
What is the InChIKey of 1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is IIGUFQFITTUYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-14-7-3-4-8-15(14,2)11-12-16(13-17)9-5-6-10-16/h1,3-12H2,2H3.
What are the key properties of 1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile?
1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 231.38 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyl-2-methylidenecyclohexyl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 10042546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).