2-methyl-3-(methylamino)butanenitrile

C6H12N2 — CID 130461723

IUPAC2-methyl-3-(methylamino)butanenitrile
SMILESCNC(C)C(C)C#N
InChIInChI=1S/C6H12N2/c1-5(4-7)6(2)8-3/h5-6,8H,1-3H3
InChIKeyDLWOVFRJNVHDBI-UHFFFAOYSA-N
MW112.18 g/mol
LogP0.75
Rot. Bonds2

About 2-methyl-3-(methylamino)butanenitrile

2-methyl-3-(methylamino)butanenitrile (PubChem CID 130461723) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)butanenitrile.

Molecular Properties

Compound Name2-methyl-3-(methylamino)butanenitrile
PubChem CID130461723
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-methyl-3-(methylamino)butanenitrile
SMILESCNC(C)C(C)C#N
InChIInChI=1S/C6H12N2/c1-5(4-7)6(2)8-3/h5-6,8H,1-3H3
InChIKeyDLWOVFRJNVHDBI-UHFFFAOYSA-N
XLogP0.75
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-3-propan-2-ylpentanenitrile
CID 59610837
3-(6-bicyclo[3.1.0]hexanylamino)-2-methylbutanenitrile
CID 131106334
3-chloro-3-dichlorosilyl-2-methylpropanenitrile
CID 173223760
2-methyl-3-(thian-4-ylamino)butanenitrile
CID 131110408
3-(1,4-dioxepan-6-ylamino)-2-methylbutanenitrile
CID 130619161
(2S)-3-methoxy-N-methylbutan-2-amine
CID 122536218
(2R,3R)-4-amino-2,3-dimethylbutanenitrile;hydrate
CID 141007574
2,3,3,4,4-pentamethylpentanenitrile
CID 130181937
5-methyl-2-(methylamino)hexanenitrile
CID 131187113
(2R)-3-N-methylbutane-2,3-diamine
CID 138713984
1,1-difluoro-N-methylpropan-2-amine
CID 80609422
hydron;bis(2-methylpropanenitrile)
CID 174938927

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)butanenitrile?
The IUPAC name of 2-methyl-3-(methylamino)butanenitrile (CID 130461723) is 2-methyl-3-(methylamino)butanenitrile.
What is the SMILES notation for 2-methyl-3-(methylamino)butanenitrile?
The canonical SMILES for 2-methyl-3-(methylamino)butanenitrile is CNC(C)C(C)C#N.
What is the InChIKey of 2-methyl-3-(methylamino)butanenitrile?
The InChIKey is DLWOVFRJNVHDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-5(4-7)6(2)8-3/h5-6,8H,1-3H3.
What are the key properties of 2-methyl-3-(methylamino)butanenitrile?
2-methyl-3-(methylamino)butanenitrile has a molecular weight of 112.18 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)butanenitrile is sourced from PubChem (CID 130461723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).