4-(4-aminohexyl)benzonitrile

C13H18N2 — CID 83927455

IUPAC4-(4-aminohexyl)benzonitrile
SMILESCCC(N)CCCc1ccc(C#N)cc1
InChIInChI=1S/C13H18N2/c1-2-13(15)5-3-4-11-6-8-12(10-14)9-7-11/h6-9,13H,2-5,15H2,1H3
InChIKeyCHDMTYJJLVPVMQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.62
Rot. Bonds5

About 4-(4-aminohexyl)benzonitrile

4-(4-aminohexyl)benzonitrile (PubChem CID 83927455) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-(4-aminohexyl)benzonitrile.

Molecular Properties

Compound Name4-(4-aminohexyl)benzonitrile
PubChem CID83927455
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4-(4-aminohexyl)benzonitrile
SMILESCCC(N)CCCc1ccc(C#N)cc1
InChIInChI=1S/C13H18N2/c1-2-13(15)5-3-4-11-6-8-12(10-14)9-7-11/h6-9,13H,2-5,15H2,1H3
InChIKeyCHDMTYJJLVPVMQ-UHFFFAOYSA-N
XLogP2.62
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-aminopentyl)benzonitrile
CID 83927457
4-heptylbenzonitrile
CID 575863
4-(2-aminohexyl)benzonitrile
CID 174547393
4-(5-aminopentyl)benzonitrile
CID 19004238
4-(3-cyanopropyl)benzonitrile
CID 83927462
4-(8-phenyloctyl)benzonitrile
CID 21257462
4-[2-(4-pentylphenyl)ethynyl]benzonitrile
CID 57358257
4-(3-methyloctyl)benzonitrile
CID 142102737
4-[2-(4-heptylphenyl)ethenyl]benzonitrile
CID 71383392
4-(3-hydroxybutyl)benzonitrile
CID 115110861
6-(4-bromo-3-methylphenyl)hexan-3-amine
CID 83936315
4-(4-aminoheptyl)aniline
CID 83928416

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminohexyl)benzonitrile?
The IUPAC name of 4-(4-aminohexyl)benzonitrile (CID 83927455) is 4-(4-aminohexyl)benzonitrile.
What is the SMILES notation for 4-(4-aminohexyl)benzonitrile?
The canonical SMILES for 4-(4-aminohexyl)benzonitrile is CCC(N)CCCc1ccc(C#N)cc1.
What is the InChIKey of 4-(4-aminohexyl)benzonitrile?
The InChIKey is CHDMTYJJLVPVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-13(15)5-3-4-11-6-8-12(10-14)9-7-11/h6-9,13H,2-5,15H2,1H3.
What are the key properties of 4-(4-aminohexyl)benzonitrile?
4-(4-aminohexyl)benzonitrile has a molecular weight of 202.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminohexyl)benzonitrile is sourced from PubChem (CID 83927455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).