3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile

C17H28N4 — CID 103190848

IUPAC3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile
SMILESCCN(CC(C#N)(NC)c1ccccc1)C(C)CN(C)C
InChIInChI=1S/C17H28N4/c1-6-21(15(2)12-20(4)5)14-17(13-18,19-3)16-10-8-7-9-11-16/h7-11,15,19H,6,12,14H2,1-5H3
InChIKeyMTWCIFZKZYCBKT-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.90
Rot. Bonds8

About 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile

3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile (PubChem CID 103190848) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile
PubChem CID103190848
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile
SMILESCCN(CC(C#N)(NC)c1ccccc1)C(C)CN(C)C
InChIInChI=1S/C17H28N4/c1-6-21(15(2)12-20(4)5)14-17(13-18,19-3)16-10-8-7-9-11-16/h7-11,15,19H,6,12,14H2,1-5H3
InChIKeyMTWCIFZKZYCBKT-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

2-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]-2-phenylpropanenitrile
CID 63965125
3-[2-(dimethylamino)ethyl-methylamino]-2-phenyl-2-(propan-2-ylamino)propanenitrile
CID 63698566
2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanenitrile
CID 103190875
2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]-2-phenylpropanenitrile
CID 82748972
5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile
CID 106804057
4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride
CID 3032221
2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189572
4-butoxy-2-(methylamino)-2-phenylbutanenitrile
CID 116692934
4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile
CID 116692325
4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile
CID 116692809
2-(methylamino)-4-[methyl(2-methylsulfonylethyl)amino]-2-phenylbutanenitrile
CID 116692636
2-phenyl-2-(propan-2-ylamino)-3-(2-propoxyethoxy)propanenitrile
CID 63685486

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile?
The IUPAC name of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile (CID 103190848) is 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile is CCN(CC(C#N)(NC)c1ccccc1)C(C)CN(C)C.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile?
The InChIKey is MTWCIFZKZYCBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-6-21(15(2)12-20(4)5)14-17(13-18,19-3)16-10-8-7-9-11-16/h7-11,15,19H,6,12,14H2,1-5H3.
What are the key properties of 3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile?
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile 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-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile is sourced from PubChem (CID 103190848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).