2,2-dimethyl-4-(methylamino)butanenitrile

C7H14N2 — CID 65247172

IUPAC2,2-dimethyl-4-(methylamino)butanenitrile
SMILESCNCCC(C)(C)C#N
InChIInChI=1S/C7H14N2/c1-7(2,6-8)4-5-9-3/h9H,4-5H2,1-3H3
InChIKeyUQELWKSBSAAGTQ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.15
Rot. Bonds3

About 2,2-dimethyl-4-(methylamino)butanenitrile

2,2-dimethyl-4-(methylamino)butanenitrile (PubChem CID 65247172) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,2-dimethyl-4-(methylamino)butanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-4-(methylamino)butanenitrile
PubChem CID65247172
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2,2-dimethyl-4-(methylamino)butanenitrile
SMILESCNCCC(C)(C)C#N
InChIInChI=1S/C7H14N2/c1-7(2,6-8)4-5-9-3/h9H,4-5H2,1-3H3
InChIKeyUQELWKSBSAAGTQ-UHFFFAOYSA-N
XLogP1.15
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-6-[2-(methylamino)ethoxy]hexanenitrile
CID 106713108
4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2,2-dimethylbutanenitrile
CID 103993401
2,2-dimethyl-4-(2,3,4,5,6-pentafluoroanilino)butanenitrile
CID 115564371
4-(hexylamino)-2,2-dimethylbutanenitrile
CID 65253637
5-(cyclopropylamino)-2,2-dimethylpentanenitrile
CID 65256303
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
4-fluoro-2,2-dimethylbutanenitrile
CID 126977208
2,2-dimethylpentanedinitrile
CID 19809777
4-[(2,3-dihydroxy-2-methylpropyl)amino]-2,2-dimethylbutanenitrile
CID 66186694
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile
CID 106146761
4-(6-hydroxyhexylamino)-2,2-dimethylbutanenitrile
CID 107851566
4-(4-chloroanilino)-2,2-dimethylbutanenitrile
CID 65249314

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(methylamino)butanenitrile?
The IUPAC name of 2,2-dimethyl-4-(methylamino)butanenitrile (CID 65247172) is 2,2-dimethyl-4-(methylamino)butanenitrile.
What is the SMILES notation for 2,2-dimethyl-4-(methylamino)butanenitrile?
The canonical SMILES for 2,2-dimethyl-4-(methylamino)butanenitrile is CNCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-4-(methylamino)butanenitrile?
The InChIKey is UQELWKSBSAAGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2,6-8)4-5-9-3/h9H,4-5H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(methylamino)butanenitrile?
2,2-dimethyl-4-(methylamino)butanenitrile has a molecular weight of 126.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(methylamino)butanenitrile is sourced from PubChem (CID 65247172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).