2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile

C16H25N3 — CID 63965125

IUPAC2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile
SMILESCCC(C)(C)N(C)CC(C#N)(NC)c1ccccc1
InChIInChI=1S/C16H25N3/c1-6-15(2,3)19(5)13-16(12-17,18-4)14-10-8-7-9-11-14/h7-11,18H,6,13H2,1-5H3
InChIKeyHCZCEXUINWTCSK-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.75
Rot. Bonds6

About 2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile

2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile (PubChem CID 63965125) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile
PubChem CID63965125
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile
SMILESCCC(C)(C)N(C)CC(C#N)(NC)c1ccccc1
InChIInChI=1S/C16H25N3/c1-6-15(2,3)19(5)13-16(12-17,18-4)14-10-8-7-9-11-14/h7-11,18H,6,13H2,1-5H3
InChIKeyHCZCEXUINWTCSK-UHFFFAOYSA-N
XLogP2.75
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile
CID 103190848
2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile
CID 82748972
4-butoxy-2-(methylamino)-2-phenylbutanenitrile
CID 116692934
2-(benzylamino)-2-phenylbutanenitrile
CID 101459494
4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile
CID 116692809
2-(methylamino)-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanenitrile
CID 116692636
3-(3-methoxy-3-methylbutoxy)-2-(methylamino)-2-phenylpropanenitrile
CID 106666625
2-(methylamino)-4-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylbutanenitrile
CID 116692652
3-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)-2-phenylpropanenitrile
CID 103404528
4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile
CID 116692371
3-(3,5-difluorophenoxy)-2-(methylamino)-2-phenylpropanenitrile
CID 62783961
3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile
CID 63698566

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile?
The IUPAC name of 2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile (CID 63965125) is 2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile.
What is the SMILES notation for 2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile?
The canonical SMILES for 2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile is CCC(C)(C)N(C)CC(C#N)(NC)c1ccccc1.
What is the InChIKey of 2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile?
The InChIKey is HCZCEXUINWTCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-6-15(2,3)19(5)13-16(12-17,18-4)14-10-8-7-9-11-14/h7-11,18H,6,13H2,1-5H3.
What are the key properties of 2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile?
2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile has a molecular weight of 259.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile is sourced from PubChem (CID 63965125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).