4-(dimethylamino)-5,5-diphenylpentanenitrile

C19H22N2 — CID 70588560

IUPAC4-(dimethylamino)-5,5-diphenylpentanenitrile
SMILESCN(C)C(CCC#N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2/c1-21(2)18(14-9-15-20)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18-19H,9,14H2,1-2H3
InChIKeySIJQBYLFSNXYGR-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.05
Rot. Bonds6

About 4-(dimethylamino)-5,5-diphenylpentanenitrile

4-(dimethylamino)-5,5-diphenylpentanenitrile (PubChem CID 70588560) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(dimethylamino)-5,5-diphenylpentanenitrile.

Molecular Properties

Compound Name4-(dimethylamino)-5,5-diphenylpentanenitrile
PubChem CID70588560
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name4-(dimethylamino)-5,5-diphenylpentanenitrile
SMILESCN(C)C(CCC#N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2/c1-21(2)18(14-9-15-20)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18-19H,9,14H2,1-2H3
InChIKeySIJQBYLFSNXYGR-UHFFFAOYSA-N
XLogP4.05
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(dimethylamino)-4-phenylbutanenitrile
CID 116910022
4-iodo-4-phenylbutanenitrile
CID 57240454
ethyl (2S)-4-cyano-2-phenylbutanoate
CID 95479648
7-methyl-4-phenylnonanenitrile
CID 155426890
4-benzyl-5-methylhexanenitrile
CID 67965044
(3S,4S)-4-(dimethylamino)-3-phenylpentanenitrile
CID 102152439
5-(1-phenylethoxy)pentanenitrile
CID 55136374
4-azido-4-phenylbutanenitrile
CID 150477544
methyl(1-phenylethyl)cyanamide
CID 117029364
2-[(3-cyano-1-phenylpropyl)amino]propanoic acid
CID 19096755
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
2-[2-cyanoethyl(methyl)amino]-N,N-diethyl-2-phenylacetamide
CID 78822383

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-5,5-diphenylpentanenitrile?
The IUPAC name of 4-(dimethylamino)-5,5-diphenylpentanenitrile (CID 70588560) is 4-(dimethylamino)-5,5-diphenylpentanenitrile.
What is the SMILES notation for 4-(dimethylamino)-5,5-diphenylpentanenitrile?
The canonical SMILES for 4-(dimethylamino)-5,5-diphenylpentanenitrile is CN(C)C(CCC#N)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-5,5-diphenylpentanenitrile?
The InChIKey is SIJQBYLFSNXYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-21(2)18(14-9-15-20)19(16-10-5-3-6-11-16)17-12-7-4-8-13-17/h3-8,10-13,18-19H,9,14H2,1-2H3.
What are the key properties of 4-(dimethylamino)-5,5-diphenylpentanenitrile?
4-(dimethylamino)-5,5-diphenylpentanenitrile has a molecular weight of 278.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-5,5-diphenylpentanenitrile is sourced from PubChem (CID 70588560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).