1-(4-methylpentyl)cyclobutane-1-carbonitrile

C11H19N — CID 83168144

IUPAC1-(4-methylpentyl)cyclobutane-1-carbonitrile
SMILESCC(C)CCCC1(C#N)CCC1
InChIInChI=1S/C11H19N/c1-10(2)5-3-6-11(9-12)7-4-8-11/h10H,3-8H2,1-2H3
InChIKeyGNMWLKWFPBKRKO-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.51
Rot. Bonds4

About 1-(4-methylpentyl)cyclobutane-1-carbonitrile

1-(4-methylpentyl)cyclobutane-1-carbonitrile (PubChem CID 83168144) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-(4-methylpentyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-methylpentyl)cyclobutane-1-carbonitrile
PubChem CID83168144
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-(4-methylpentyl)cyclobutane-1-carbonitrile
SMILESCC(C)CCCC1(C#N)CCC1
InChIInChI=1S/C11H19N/c1-10(2)5-3-6-11(9-12)7-4-8-11/h10H,3-8H2,1-2H3
InChIKeyGNMWLKWFPBKRKO-UHFFFAOYSA-N
XLogP3.51
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-methylpentyl)cyclobutane-1-carbonitrile (CID 83168144) is 1-(4-methylpentyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-methylpentyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-methylpentyl)cyclobutane-1-carbonitrile is CC(C)CCCC1(C#N)CCC1.
What is the InChIKey of 1-(4-methylpentyl)cyclobutane-1-carbonitrile?
The InChIKey is GNMWLKWFPBKRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10(2)5-3-6-11(9-12)7-4-8-11/h10H,3-8H2,1-2H3.
What are the key properties of 1-(4-methylpentyl)cyclobutane-1-carbonitrile?
1-(4-methylpentyl)cyclobutane-1-carbonitrile has a molecular weight of 165.28 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 83168144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).