2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile

C13H17ClN2 — CID 14304725

IUPAC2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile
SMILESCN(C)CCCC(C#N)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2/c1-16(2)9-3-4-12(10-15)11-5-7-13(14)8-6-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyMMRNOCJQVZUBGW-UHFFFAOYSA-N
MW236.75 g/mol
LogP3.29
Rot. Bonds5

About 2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile

2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile (PubChem CID 14304725) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile
PubChem CID14304725
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile
SMILESCN(C)CCCC(C#N)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2/c1-16(2)9-3-4-12(10-15)11-5-7-13(14)8-6-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyMMRNOCJQVZUBGW-UHFFFAOYSA-N
XLogP3.29
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile?
The IUPAC name of 2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile (CID 14304725) is 2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile?
The canonical SMILES for 2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile is CN(C)CCCC(C#N)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile?
The InChIKey is MMRNOCJQVZUBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c1-16(2)9-3-4-12(10-15)11-5-7-13(14)8-6-11/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile?
2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile has a molecular weight of 236.75 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(dimethylamino)pentanenitrile is sourced from PubChem (CID 14304725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).