2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile

C12H25N3 — CID 63027745

IUPAC2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile
SMILESCNC(C#N)CCN(C)C(C)CC(C)C
InChIInChI=1S/C12H25N3/c1-10(2)8-11(3)15(5)7-6-12(9-13)14-4/h10-12,14H,6-8H2,1-5H3
InChIKeyREQHVZIFYWFBNY-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.85
Rot. Bonds7

About 2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile

2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile (PubChem CID 63027745) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile.

Molecular Properties

Compound Name2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile
PubChem CID63027745
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile
SMILESCNC(C#N)CCN(C)C(C)CC(C)C
InChIInChI=1S/C12H25N3/c1-10(2)8-11(3)15(5)7-6-12(9-13)14-4/h10-12,14H,6-8H2,1-5H3
InChIKeyREQHVZIFYWFBNY-UHFFFAOYSA-N
XLogP1.85
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(methylamino)hexanenitrile
CID 131187113
4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile
CID 63030043
2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile
CID 81061828
N,N'-dimethyl-N'-(4-methylpentan-2-yl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619308
4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)butanenitrile
CID 63029281
2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
CID 106803332
4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile
CID 63029476
4-(dicyclohexylamino)-2-(methylamino)butanenitrile
CID 63027303
4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63028721
1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine
CID 64682040
4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63055545
2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile
CID 61005347

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile?
The IUPAC name of 2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile (CID 63027745) is 2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile.
What is the SMILES notation for 2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile?
The canonical SMILES for 2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile is CNC(C#N)CCN(C)C(C)CC(C)C.
What is the InChIKey of 2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile?
The InChIKey is REQHVZIFYWFBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-10(2)8-11(3)15(5)7-6-12(9-13)14-4/h10-12,14H,6-8H2,1-5H3.
What are the key properties of 2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile?
2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile has a molecular weight of 211.35 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile is sourced from PubChem (CID 63027745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).