3-(dipropylamino)-3-phenylpropanenitrile

C15H22N2 — CID 55117965

IUPAC3-(dipropylamino)-3-phenylpropanenitrile
SMILESCCCN(CCC)C(CC#N)c1ccccc1
InChIInChI=1S/C15H22N2/c1-3-12-17(13-4-2)15(10-11-16)14-8-6-5-7-9-14/h5-9,15H,3-4,10,12-13H2,1-2H3
InChIKeyAHZOXUCDNJVGRE-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.76
Rot. Bonds7

About 3-(dipropylamino)-3-phenylpropanenitrile

3-(dipropylamino)-3-phenylpropanenitrile (PubChem CID 55117965) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-(dipropylamino)-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-(dipropylamino)-3-phenylpropanenitrile
PubChem CID55117965
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name3-(dipropylamino)-3-phenylpropanenitrile
SMILESCCCN(CCC)C(CC#N)c1ccccc1
InChIInChI=1S/C15H22N2/c1-3-12-17(13-4-2)15(10-11-16)14-8-6-5-7-9-14/h5-9,15H,3-4,10,12-13H2,1-2H3
InChIKeyAHZOXUCDNJVGRE-UHFFFAOYSA-N
XLogP3.76
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dibutylamino)-3-phenylpropanenitrile
CID 62779901
3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile
CID 62779229
N'-ethyl-1-phenyl-N,N-dipropylethane-1,2-diamine
CID 62425629
3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile
CID 62778735
3-[3-hydroxybutyl(methyl)amino]-3-phenylpropanenitrile
CID 113499592
3-[1-phenylpropyl(propyl)amino]propanoic acid
CID 119135012
2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile
CID 64538362
4-(dimethylamino)-4-phenylbutanenitrile
CID 116910022
3-(4-chlorophenyl)-3-(dibenzylamino)propanenitrile
CID 11187551
N,N'-diethyl-1-phenyl-N-propylethane-1,2-diamine
CID 55074782
N-ethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62778521
2-[[2-(diethylamino)-2-phenylethyl]amino]acetonitrile
CID 43199335

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)-3-phenylpropanenitrile?
The IUPAC name of 3-(dipropylamino)-3-phenylpropanenitrile (CID 55117965) is 3-(dipropylamino)-3-phenylpropanenitrile.
What is the SMILES notation for 3-(dipropylamino)-3-phenylpropanenitrile?
The canonical SMILES for 3-(dipropylamino)-3-phenylpropanenitrile is CCCN(CCC)C(CC#N)c1ccccc1.
What is the InChIKey of 3-(dipropylamino)-3-phenylpropanenitrile?
The InChIKey is AHZOXUCDNJVGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-12-17(13-4-2)15(10-11-16)14-8-6-5-7-9-14/h5-9,15H,3-4,10,12-13H2,1-2H3.
What are the key properties of 3-(dipropylamino)-3-phenylpropanenitrile?
3-(dipropylamino)-3-phenylpropanenitrile has a molecular weight of 230.36 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-3-phenylpropanenitrile is sourced from PubChem (CID 55117965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).