2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile

C15H22N2 — CID 64538362

IUPAC2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile
SMILESCCCN(CC(C#N)c1ccccc1)C(C)C
InChIInChI=1S/C15H22N2/c1-4-10-17(13(2)3)12-15(11-16)14-8-6-5-7-9-14/h5-9,13,15H,4,10,12H2,1-3H3
InChIKeyRXGSAVKWUHKDGQ-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.41
Rot. Bonds6

About 2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile

2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile (PubChem CID 64538362) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile.

Molecular Properties

Compound Name2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile
PubChem CID64538362
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile
SMILESCCCN(CC(C#N)c1ccccc1)C(C)C
InChIInChI=1S/C15H22N2/c1-4-10-17(13(2)3)12-15(11-16)14-8-6-5-7-9-14/h5-9,13,15H,4,10,12H2,1-3H3
InChIKeyRXGSAVKWUHKDGQ-UHFFFAOYSA-N
XLogP3.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide
CID 64536746
3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile
CID 64536346
3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile
CID 64538564
3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile
CID 64537660
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile
CID 64538576
ethane;2-phenylbutanenitrile
CID 91343198
3-(dipropylamino)-3-phenylpropanenitrile
CID 55117965
1-ethylsulfonylethane;2-phenylbutanenitrile
CID 174853089
3-[2-[di(propan-2-yl)amino]ethylamino]-2-phenylpropanenitrile
CID 64535404
3-[N-(2-cyanoethyl)anilino]-2-phenylpropanenitrile
CID 64537136
3-(N,4-dimethylanilino)-2-phenylpropanenitrile
CID 64536950
(1S,2R)-2-(dipropylamino)-1-phenylpropan-1-ol
CID 11118019

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile?
The IUPAC name of 2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile (CID 64538362) is 2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile.
What is the SMILES notation for 2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile?
The canonical SMILES for 2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile is CCCN(CC(C#N)c1ccccc1)C(C)C.
What is the InChIKey of 2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile?
The InChIKey is RXGSAVKWUHKDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-10-17(13(2)3)12-15(11-16)14-8-6-5-7-9-14/h5-9,13,15H,4,10,12H2,1-3H3.
What are the key properties of 2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile?
2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile has a molecular weight of 230.36 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile is sourced from PubChem (CID 64538362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).