3-(dibutylamino)-3-phenylpropanenitrile

C17H26N2 — CID 62779901

IUPAC3-(dibutylamino)-3-phenylpropanenitrile
SMILESCCCCN(CCCC)C(CC#N)c1ccccc1
InChIInChI=1S/C17H26N2/c1-3-5-14-19(15-6-4-2)17(12-13-18)16-10-8-7-9-11-16/h7-11,17H,3-6,12,14-15H2,1-2H3
InChIKeyWDUVLEOBNLRFSZ-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.54
Rot. Bonds9

About 3-(dibutylamino)-3-phenylpropanenitrile

3-(dibutylamino)-3-phenylpropanenitrile (PubChem CID 62779901) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-(dibutylamino)-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-(dibutylamino)-3-phenylpropanenitrile
PubChem CID62779901
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-(dibutylamino)-3-phenylpropanenitrile
SMILESCCCCN(CCCC)C(CC#N)c1ccccc1
InChIInChI=1S/C17H26N2/c1-3-5-14-19(15-6-4-2)17(12-13-18)16-10-8-7-9-11-16/h7-11,17H,3-6,12,14-15H2,1-2H3
InChIKeyWDUVLEOBNLRFSZ-UHFFFAOYSA-N
XLogP4.54
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(dipropylamino)-3-phenylpropanenitrile
CID 55117965
N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62424987
3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile
CID 62778735
3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile
CID 62779229
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759
3-[3-hydroxybutyl(methyl)amino]-3-phenylpropanenitrile
CID 113499592
3-pentoxy-3-phenylpropanenitrile
CID 67356986
(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556
(1S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 70156546
3-hexoxy-3-phenylpropanenitrile
CID 115002769
3-heptoxy-3-phenylpropanenitrile
CID 115002608
N-butyl-N'-cyclopropyl-N-ethyl-1-phenylethane-1,2-diamine
CID 55069938

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylamino)-3-phenylpropanenitrile?
The IUPAC name of 3-(dibutylamino)-3-phenylpropanenitrile (CID 62779901) is 3-(dibutylamino)-3-phenylpropanenitrile.
What is the SMILES notation for 3-(dibutylamino)-3-phenylpropanenitrile?
The canonical SMILES for 3-(dibutylamino)-3-phenylpropanenitrile is CCCCN(CCCC)C(CC#N)c1ccccc1.
What is the InChIKey of 3-(dibutylamino)-3-phenylpropanenitrile?
The InChIKey is WDUVLEOBNLRFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-5-14-19(15-6-4-2)17(12-13-18)16-10-8-7-9-11-16/h7-11,17H,3-6,12,14-15H2,1-2H3.
What are the key properties of 3-(dibutylamino)-3-phenylpropanenitrile?
3-(dibutylamino)-3-phenylpropanenitrile has a molecular weight of 258.41 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylamino)-3-phenylpropanenitrile is sourced from PubChem (CID 62779901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).