2-(cyclopropylmethylamino)butanenitrile

C8H14N2 — CID 60996082

IUPAC2-(cyclopropylmethylamino)butanenitrile
SMILESCCC(C#N)NCC1CC1
InChIInChI=1S/C8H14N2/c1-2-8(5-9)10-6-7-3-4-7/h7-8,10H,2-4,6H2,1H3
InChIKeyISWMWSRSETWZGH-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.29
Rot. Bonds4

About 2-(cyclopropylmethylamino)butanenitrile

2-(cyclopropylmethylamino)butanenitrile (PubChem CID 60996082) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)butanenitrile.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)butanenitrile
PubChem CID60996082
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-(cyclopropylmethylamino)butanenitrile
SMILESCCC(C#N)NCC1CC1
InChIInChI=1S/C8H14N2/c1-2-8(5-9)10-6-7-3-4-7/h7-8,10H,2-4,6H2,1H3
InChIKeyISWMWSRSETWZGH-UHFFFAOYSA-N
XLogP1.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)heptanenitrile
CID 60996351
2-[(2-methylcyclopentyl)methylamino]butanenitrile
CID 107418090
N-(cycloheptylmethyl)pent-1-yn-3-amine
CID 106224416
N-[(4-tert-butylcyclohexyl)methyl]pent-1-yn-3-amine
CID 114160546
1-chloro-N-(cyclopropylmethyl)ethanamine
CID 129153429
N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine
CID 65459186
2-[(2-methylcyclobutyl)amino]butanenitrile
CID 130555959
2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile
CID 62414881
2-N-(cyclopropylmethyl)-1-N-ethyl-1-N-methylbutane-1,2-diamine
CID 167503112
N-[(4-ethylcyclohexyl)methyl]propan-2-amine
CID 60972109
4-(1-cyanopropylamino)-N-cyclopropylbutanamide
CID 79394703
N-(cycloheptylmethyl)hex-5-yn-3-amine
CID 115685744

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)butanenitrile?
The IUPAC name of 2-(cyclopropylmethylamino)butanenitrile (CID 60996082) is 2-(cyclopropylmethylamino)butanenitrile.
What is the SMILES notation for 2-(cyclopropylmethylamino)butanenitrile?
The canonical SMILES for 2-(cyclopropylmethylamino)butanenitrile is CCC(C#N)NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)butanenitrile?
The InChIKey is ISWMWSRSETWZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-8(5-9)10-6-7-3-4-7/h7-8,10H,2-4,6H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)butanenitrile?
2-(cyclopropylmethylamino)butanenitrile has a molecular weight of 138.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)butanenitrile is sourced from PubChem (CID 60996082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).