2-amino-6-(cyclohexen-1-yl)benzonitrile

C13H14N2 — CID 129240373

IUPAC2-amino-6-(cyclohexen-1-yl)benzonitrile
SMILESN#Cc1c(N)cccc1C1=CCCCC1
InChIInChI=1S/C13H14N2/c14-9-12-11(7-4-8-13(12)15)10-5-2-1-3-6-10/h4-5,7-8H,1-3,6,15H2
InChIKeyTZYSPRRGYIRZIZ-UHFFFAOYSA-N
MW198.27 g/mol
LogP3.10
Rot. Bonds1

About 2-amino-6-(cyclohexen-1-yl)benzonitrile

2-amino-6-(cyclohexen-1-yl)benzonitrile (PubChem CID 129240373) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-amino-6-(cyclohexen-1-yl)benzonitrile.

Molecular Properties

Compound Name2-amino-6-(cyclohexen-1-yl)benzonitrile
PubChem CID129240373
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name2-amino-6-(cyclohexen-1-yl)benzonitrile
SMILESN#Cc1c(N)cccc1C1=CCCCC1
InChIInChI=1S/C13H14N2/c14-9-12-11(7-4-8-13(12)15)10-5-2-1-3-6-10/h4-5,7-8H,1-3,6,15H2
InChIKeyTZYSPRRGYIRZIZ-UHFFFAOYSA-N
XLogP3.10
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexen-1-yl)aniline;rhodium
CID 166447509
3-(cyclopenten-1-yl)-2-methylaniline
CID 130534955
2-amino-6-(2-methylphenyl)benzonitrile
CID 175804845
1-(cyclohexen-1-yl)-2-ethynylbenzene
CID 175141580
1-(2-phenylphenyl)cycloheptene
CID 71332036
(1E)-1-(2-chlorophenyl)cyclodecene
CID 165358965
2-[2-(cyclohexen-1-yl)phenyl]ethanamine
CID 115022405
2-amino-6-(4-methoxyphenyl)benzonitrile
CID 146018328
2-amino-6-sulfanylbenzonitrile
CID 91873913
N-[2-(cyclohexen-1-yl)phenyl]methanimine
CID 146628867
4-[(2S)-4-(cyclohexen-1-yl)-2-methyl-1,3-benzodioxol-2-yl]-3-fluorobenzonitrile
CID 170095123
5-(cycloocten-1-yl)-1,2,3,4-tetrahydronaphthalene;N-methylmethanamine;hydrochloride
CID 70142476

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(cyclohexen-1-yl)benzonitrile?
The IUPAC name of 2-amino-6-(cyclohexen-1-yl)benzonitrile (CID 129240373) is 2-amino-6-(cyclohexen-1-yl)benzonitrile.
What is the SMILES notation for 2-amino-6-(cyclohexen-1-yl)benzonitrile?
The canonical SMILES for 2-amino-6-(cyclohexen-1-yl)benzonitrile is N#Cc1c(N)cccc1C1=CCCCC1.
What is the InChIKey of 2-amino-6-(cyclohexen-1-yl)benzonitrile?
The InChIKey is TZYSPRRGYIRZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c14-9-12-11(7-4-8-13(12)15)10-5-2-1-3-6-10/h4-5,7-8H,1-3,6,15H2.
What are the key properties of 2-amino-6-(cyclohexen-1-yl)benzonitrile?
2-amino-6-(cyclohexen-1-yl)benzonitrile has a molecular weight of 198.27 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyclohexen-1-yl)benzonitrile is sourced from PubChem (CID 129240373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).