2-(cyclobutylmethyl)-3-methylbutanenitrile

C10H17N — CID 116931782

IUPAC2-(cyclobutylmethyl)-3-methylbutanenitrile
SMILESCC(C)C(C#N)CC1CCC1
InChIInChI=1S/C10H17N/c1-8(2)10(7-11)6-9-4-3-5-9/h8-10H,3-6H2,1-2H3
InChIKeyRMWBIJWHBFEUQH-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.97
Rot. Bonds3

About 2-(cyclobutylmethyl)-3-methylbutanenitrile

2-(cyclobutylmethyl)-3-methylbutanenitrile (PubChem CID 116931782) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-3-methylbutanenitrile.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-3-methylbutanenitrile
PubChem CID116931782
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-(cyclobutylmethyl)-3-methylbutanenitrile
SMILESCC(C)C(C#N)CC1CCC1
InChIInChI=1S/C10H17N/c1-8(2)10(7-11)6-9-4-3-5-9/h8-10H,3-6H2,1-2H3
InChIKeyRMWBIJWHBFEUQH-UHFFFAOYSA-N
XLogP2.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile
CID 116931781
2-[[cyclopentyl(methyl)amino]methyl]-3-methylbutanenitrile
CID 115254419
3-(cyclohexylmethyl)-4-methylpentanenitrile
CID 67965037
2-cyclopropylpropylcyclobutane
CID 54087952
(2S)-1-cyclobutylpropan-2-amine
CID 66713874
(2R)-1-cyclobutylpropan-2-amine
CID 124506916
2-methylbut-3-ynylcyclobutane
CID 167719771
2-[[2-cyclohexylethyl(methyl)amino]methyl]-3-methylbutanenitrile
CID 115254710
2,3-dimethylbutylcyclodecane
CID 123220792
(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668
3-methylbutan-2-ylcyclohexane;bis(2-methylpropylcyclobutane);2-methylpropylcyclohexane
CID 161332116
2-propan-2-ylpentylcyclobutane
CID 161147859

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-3-methylbutanenitrile?
The IUPAC name of 2-(cyclobutylmethyl)-3-methylbutanenitrile (CID 116931782) is 2-(cyclobutylmethyl)-3-methylbutanenitrile.
What is the SMILES notation for 2-(cyclobutylmethyl)-3-methylbutanenitrile?
The canonical SMILES for 2-(cyclobutylmethyl)-3-methylbutanenitrile is CC(C)C(C#N)CC1CCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-3-methylbutanenitrile?
The InChIKey is RMWBIJWHBFEUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8(2)10(7-11)6-9-4-3-5-9/h8-10H,3-6H2,1-2H3.
What are the key properties of 2-(cyclobutylmethyl)-3-methylbutanenitrile?
2-(cyclobutylmethyl)-3-methylbutanenitrile has a molecular weight of 151.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-3-methylbutanenitrile is sourced from PubChem (CID 116931782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).