2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile

C15H23N3 — CID 65486891

IUPAC2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile
SMILESCNC(C)(C#N)CCN(C)CCc1ccccc1
InChIInChI=1S/C15H23N3/c1-15(13-16,17-2)10-12-18(3)11-9-14-7-5-4-6-8-14/h4-8,17H,9-12H2,1-3H3
InChIKeyLBVHROWKEYWEAS-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.05
Rot. Bonds7

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

2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile (PubChem CID 65486891) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile
PubChem CID65486891
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile
SMILESCNC(C)(C#N)CCN(C)CCc1ccccc1
InChIInChI=1S/C15H23N3/c1-15(13-16,17-2)10-12-18(3)11-9-14-7-5-4-6-8-14/h4-8,17H,9-12H2,1-3H3
InChIKeyLBVHROWKEYWEAS-UHFFFAOYSA-N
XLogP2.05
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile
CID 65487082
2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532
ethyl 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanoate
CID 65487091
2-(ethylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butan-1-ol
CID 65486202
methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65485948
N'-hydroxy-2,2-dimethyl-4-[methyl(2-phenylethyl)amino]butanimidamide
CID 77070479
(2R)-4-[benzyl(methyl)amino]-2-methyl-2-phenylbutanenitrile
CID 125465888
1-N,3-N,2,2-tetramethyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 66454544
2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile
CID 23582575
methyl 2-(ethylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65487667
2-(cyclopropylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoic acid
CID 65487478
2-methyl-2-(2-methylanilino)-4-phenylbutanenitrile
CID 60990377

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile?
The IUPAC name of 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile (CID 65486891) is 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile is CNC(C)(C#N)CCN(C)CCc1ccccc1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile?
The InChIKey is LBVHROWKEYWEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-15(13-16,17-2)10-12-18(3)11-9-14-7-5-4-6-8-14/h4-8,17H,9-12H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile?
2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile has a molecular weight of 245.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile is sourced from PubChem (CID 65486891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).