2-[(2-methylcyclobutyl)amino]butanenitrile

C9H16N2 — CID 130555959

IUPAC2-[(2-methylcyclobutyl)amino]butanenitrile
SMILESCCC(C#N)NC1CCC1C
InChIInChI=1S/C9H16N2/c1-3-8(6-10)11-9-5-4-7(9)2/h7-9,11H,3-5H2,1-2H3
InChIKeyOYUZCXWLBHJOAF-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.68
Rot. Bonds3

About 2-[(2-methylcyclobutyl)amino]butanenitrile

2-[(2-methylcyclobutyl)amino]butanenitrile (PubChem CID 130555959) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-[(2-methylcyclobutyl)amino]butanenitrile.

Molecular Properties

Compound Name2-[(2-methylcyclobutyl)amino]butanenitrile
PubChem CID130555959
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-[(2-methylcyclobutyl)amino]butanenitrile
SMILESCCC(C#N)NC1CCC1C
InChIInChI=1S/C9H16N2/c1-3-8(6-10)11-9-5-4-7(9)2/h7-9,11H,3-5H2,1-2H3
InChIKeyOYUZCXWLBHJOAF-UHFFFAOYSA-N
XLogP1.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylcyclopentyl)methylamino]butanenitrile
CID 107418090
2-[(1,1-dioxothietan-3-yl)amino]butanenitrile
CID 127015023
2-(cyclopropylmethylamino)butanenitrile
CID 60996082
2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 63993685
cis-(1S,2R)-N-[(2S)-butan-2-yl]-2-methylcyclohexan-1-amine
CID 124709757
N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide
CID 79159247
2-[(5-oxopyrrolidin-3-yl)amino]butanenitrile
CID 106189208
N-(3,3-dimethylbutan-2-yl)-2-methylcyclobutan-1-amine
CID 130171585
2-methyl-N-(5-methylheptan-3-yl)cyclopentan-1-amine
CID 63277446
(2R)-N-methyl-2-[(2-methylcyclobutyl)amino]propanamide
CID 131175832
N-[(1S)-1-cyclobutylethyl]-2-methylcyclobutan-1-amine
CID 130662747
2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile
CID 172761709

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclobutyl)amino]butanenitrile?
The IUPAC name of 2-[(2-methylcyclobutyl)amino]butanenitrile (CID 130555959) is 2-[(2-methylcyclobutyl)amino]butanenitrile.
What is the SMILES notation for 2-[(2-methylcyclobutyl)amino]butanenitrile?
The canonical SMILES for 2-[(2-methylcyclobutyl)amino]butanenitrile is CCC(C#N)NC1CCC1C.
What is the InChIKey of 2-[(2-methylcyclobutyl)amino]butanenitrile?
The InChIKey is OYUZCXWLBHJOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-8(6-10)11-9-5-4-7(9)2/h7-9,11H,3-5H2,1-2H3.
What are the key properties of 2-[(2-methylcyclobutyl)amino]butanenitrile?
2-[(2-methylcyclobutyl)amino]butanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclobutyl)amino]butanenitrile is sourced from PubChem (CID 130555959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).