2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile

C15H23N3 — CID 65487082

IUPAC2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile
SMILESCN(CCCC(C)(N)C#N)CCc1ccccc1
InChIInChI=1S/C15H23N3/c1-15(17,13-16)10-6-11-18(2)12-9-14-7-4-3-5-8-14/h3-5,7-8H,6,9-12,17H2,1-2H3
InChIKeyWNPYUIJTKUISKH-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.18
Rot. Bonds7

About 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile

2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile (PubChem CID 65487082) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile
PubChem CID65487082
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile
SMILESCN(CCCC(C)(N)C#N)CCc1ccccc1
InChIInChI=1S/C15H23N3/c1-15(17,13-16)10-6-11-18(2)12-9-14-7-4-3-5-8-14/h3-5,7-8H,6,9-12,17H2,1-2H3
InChIKeyWNPYUIJTKUISKH-UHFFFAOYSA-N
XLogP2.18
TPSA53.05 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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoic acid
CID 65487093
2-methyl-2-(methylamino)-4-[methyl(2-phenylethyl)amino]butanenitrile
CID 65486891
methyl 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanoate
CID 65487858
2-cyclopentyl-5-[methyl(2-phenylethyl)amino]-2-phenylpentanenitrile
CID 23582575
N,N,N',2-tetramethyl-2-phenyl-N'-(2-phenylethyl)pentane-1,5-diamine
CID 70495377
2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532
2-cyclopropyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]pentanenitrile
CID 21181308
2-cyclopropyl-5-[methyl(2-phenylethyl)amino]-2-[2-(trifluoromethyl)phenyl]pentanenitrile
CID 21181405
(2S)-2-(3,5-dimethoxyphenyl)-5-[methyl(2-phenylethyl)amino]-2-propan-2-ylpentanenitrile
CID 70371909
(2S)-5-[methyl(2-phenylethyl)amino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CID 70372144
3-[methyl(2-phenylethyl)amino]propane-1-sulfonic acid
CID 87177450
methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65485948

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile?
The IUPAC name of 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile (CID 65487082) is 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile is CN(CCCC(C)(N)C#N)CCc1ccccc1.
What is the InChIKey of 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile?
The InChIKey is WNPYUIJTKUISKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-15(17,13-16)10-6-11-18(2)12-9-14-7-4-3-5-8-14/h3-5,7-8H,6,9-12,17H2,1-2H3.
What are the key properties of 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile?
2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile has a molecular weight of 245.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-[methyl(2-phenylethyl)amino]pentanenitrile is sourced from PubChem (CID 65487082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).