2-(2-methylbutylamino)propanenitrile

C8H16N2 — CID 62692860

IUPAC2-(2-methylbutylamino)propanenitrile
SMILESCCC(C)CNC(C)C#N
InChIInChI=1S/C8H16N2/c1-4-7(2)6-10-8(3)5-9/h7-8,10H,4,6H2,1-3H3
InChIKeyIBTSNEDTOKSIJN-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.53
Rot. Bonds4

About 2-(2-methylbutylamino)propanenitrile

2-(2-methylbutylamino)propanenitrile (PubChem CID 62692860) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-(2-methylbutylamino)propanenitrile.

Molecular Properties

Compound Name2-(2-methylbutylamino)propanenitrile
PubChem CID62692860
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-(2-methylbutylamino)propanenitrile
SMILESCCC(C)CNC(C)C#N
InChIInChI=1S/C8H16N2/c1-4-7(2)6-10-8(3)5-9/h7-8,10H,4,6H2,1-3H3
InChIKeyIBTSNEDTOKSIJN-UHFFFAOYSA-N
XLogP1.53
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Butanediamine, N-isopentyl-
CID 56229
3-[(2-Methylbutan-2-yl)amino]propanenitrile
CID 11446379
2-Methyl-2-((2-methylpropyl)amino)propanenitrile
CID 28702595
3-((3-Methylbutyl)amino)propanenitrile
CID 28728247
Butane, 1-(2-cyano)ethylamino-
CID 21418006
3-Methyl-2-(methylamino)butanenitrile
CID 15677238
2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 24848525
beta-Butylaminoisobutyronitrile
CID 143955
(2S)-3-(3-fluoropropylamino)-2-methylbutanenitrile
CID 149303527
3-Methyl-2-(propan-2-ylamino)butanenitrile
CID 332394
1-Butanamine, 3-methyl, N-(1-methylethyl)
CID 527114
3-(Pentylamino)-propionitrile
CID 21433217

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylamino)propanenitrile?
The IUPAC name of 2-(2-methylbutylamino)propanenitrile (CID 62692860) is 2-(2-methylbutylamino)propanenitrile.
What is the SMILES notation for 2-(2-methylbutylamino)propanenitrile?
The canonical SMILES for 2-(2-methylbutylamino)propanenitrile is CCC(C)CNC(C)C#N.
What is the InChIKey of 2-(2-methylbutylamino)propanenitrile?
The InChIKey is IBTSNEDTOKSIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-7(2)6-10-8(3)5-9/h7-8,10H,4,6H2,1-3H3.
What are the key properties of 2-(2-methylbutylamino)propanenitrile?
2-(2-methylbutylamino)propanenitrile has a molecular weight of 140.23 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylamino)propanenitrile is sourced from PubChem (CID 62692860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).