4-(1-cyanopentylamino)benzonitrile

C13H15N3 — CID 68657806

IUPAC4-(1-cyanopentylamino)benzonitrile
SMILESCCCCC(C#N)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H15N3/c1-2-3-4-13(10-15)16-12-7-5-11(9-14)6-8-12/h5-8,13,16H,2-4H2,1H3
InChIKeyBZFVTFSTIGBMSX-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.05
Rot. Bonds5

About 4-(1-cyanopentylamino)benzonitrile

4-(1-cyanopentylamino)benzonitrile (PubChem CID 68657806) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(1-cyanopentylamino)benzonitrile.

Molecular Properties

Compound Name4-(1-cyanopentylamino)benzonitrile
PubChem CID68657806
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-(1-cyanopentylamino)benzonitrile
SMILESCCCCC(C#N)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H15N3/c1-2-3-4-13(10-15)16-12-7-5-11(9-14)6-8-12/h5-8,13,16H,2-4H2,1H3
InChIKeyBZFVTFSTIGBMSX-UHFFFAOYSA-N
XLogP3.05
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoroanilino)hexanenitrile
CID 61352148
2-(3-fluoro-5-methylanilino)hexanenitrile
CID 79055054
4-(1-methylsulfanylbutan-2-ylamino)benzonitrile
CID 115899436
4-(decylamino)benzonitrile
CID 23349332
2-(4-bromoanilino)-5-methylsulfanylpentanenitrile
CID 103089133
2-[4-(heptan-3-ylamino)phenyl]acetonitrile
CID 63944926
4-(1,3-diaminopropan-2-ylamino)benzonitrile
CID 130964172
4-hexoxybenzonitrile;4-hexoxy-N-methylaniline
CID 174889691
4-(2-aminohexyl)benzonitrile
CID 174547393
2-(2-fluoroanilino)heptanenitrile
CID 61005429
(2S,3S)-2-(4-cyanoanilino)-3-methylpentanoic acid
CID 120964660
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanopentylamino)benzonitrile?
The IUPAC name of 4-(1-cyanopentylamino)benzonitrile (CID 68657806) is 4-(1-cyanopentylamino)benzonitrile.
What is the SMILES notation for 4-(1-cyanopentylamino)benzonitrile?
The canonical SMILES for 4-(1-cyanopentylamino)benzonitrile is CCCCC(C#N)Nc1ccc(C#N)cc1.
What is the InChIKey of 4-(1-cyanopentylamino)benzonitrile?
The InChIKey is BZFVTFSTIGBMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-3-4-13(10-15)16-12-7-5-11(9-14)6-8-12/h5-8,13,16H,2-4H2,1H3.
What are the key properties of 4-(1-cyanopentylamino)benzonitrile?
4-(1-cyanopentylamino)benzonitrile has a molecular weight of 213.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanopentylamino)benzonitrile is sourced from PubChem (CID 68657806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).