3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile

C17H28N4 — CID 63698566

IUPAC3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(CN(C)CCN(C)C)c1ccccc1
InChIInChI=1S/C17H28N4/c1-15(2)19-17(13-18,16-9-7-6-8-10-16)14-21(5)12-11-20(3)4/h6-10,15,19H,11-12,14H2,1-5H3
InChIKeyMHAYUYHEDOOKSO-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.90
Rot. Bonds8

About 3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile

3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile (PubChem CID 63698566) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile
PubChem CID63698566
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(CN(C)CCN(C)C)c1ccccc1
InChIInChI=1S/C17H28N4/c1-15(2)19-17(13-18,16-9-7-6-8-10-16)14-21(5)12-11-20(3)4/h6-10,15,19H,11-12,14H2,1-5H3
InChIKeyMHAYUYHEDOOKSO-UHFFFAOYSA-N
XLogP1.90
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile
CID 103190848
4-butylsulfanyl-2-phenyl-2-(propan-2-ylamino)butanenitrile
CID 116693027
2-phenyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanenitrile
CID 63685486
4-(4-hydroxybutan-2-ylsulfanyl)-2-phenyl-2-(propan-2-ylamino)butanenitrile
CID 116693417
3-(3,3-dimethylbutoxy)-2-phenyl-2-(propan-2-ylamino)propanenitrile
CID 66227659
1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
CID 55068898
3-(2-methylpentoxy)-2-phenyl-2-(propan-2-ylamino)propanenitrile
CID 103284816
4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile
CID 116692371
3-(2-methylfuran-3-yl)sulfanyl-2-phenyl-2-(propan-2-ylamino)propanenitrile
CID 107781756
4-(1,3-oxazol-2-ylsulfanyl)-2-phenyl-2-(propan-2-ylamino)butanenitrile
CID 106924647
4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile
CID 116692325
4-(4-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)butanenitrile
CID 116692718

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile (CID 63698566) is 3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)(CN(C)CCN(C)C)c1ccccc1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile?
The InChIKey is MHAYUYHEDOOKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-15(2)19-17(13-18,16-9-7-6-8-10-16)14-21(5)12-11-20(3)4/h6-10,15,19H,11-12,14H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile?
3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile has a molecular weight of 288.44 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 63698566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).