N-(1-prop-2-enylcyclohexyl)aniline

C15H21N — CID 599883

IUPACN-(1-prop-2-enylcyclohexyl)aniline
SMILESC=CCC1(Nc2ccccc2)CCCCC1
InChIInChI=1S/C15H21N/c1-2-11-15(12-7-4-8-13-15)16-14-9-5-3-6-10-14/h2-3,5-6,9-10,16H,1,4,7-8,11-13H2
InChIKeyFSGGHWIGDJCKEX-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.38
Rot. Bonds4

About N-(1-prop-2-enylcyclohexyl)aniline

N-(1-prop-2-enylcyclohexyl)aniline (PubChem CID 599883) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(1-prop-2-enylcyclohexyl)aniline.

Molecular Properties

Compound NameN-(1-prop-2-enylcyclohexyl)aniline
PubChem CID599883
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-(1-prop-2-enylcyclohexyl)aniline
SMILESC=CCC1(Nc2ccccc2)CCCCC1
InChIInChI=1S/C15H21N/c1-2-11-15(12-7-4-8-13-15)16-14-9-5-3-6-10-14/h2-3,5-6,9-10,16H,1,4,7-8,11-13H2
InChIKeyFSGGHWIGDJCKEX-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-prop-2-enylcyclohexyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diphenylamine
CID 11487
N-Phenyl-p-phenylenediamine
CID 7564
Dibenz(b,f)azepine
CID 9212
4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
Iminodibenyl
CID 10308
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981
N-ethyl-3-methylaniline
CID 7603
4,4'-Dioctyldiphenylamine
CID 7569
1,2-Dihydro-2,2,4-trimethyl-6-phenylquinoline
CID 77098
N-(3-Methylphenyl)aniline
CID 14569
4,4'-Diaminodiphenylamine
CID 10841
N-Phenyl-p-toluidine
CID 12109

Frequently Asked Questions

What is the IUPAC name of N-(1-prop-2-enylcyclohexyl)aniline?
The IUPAC name of N-(1-prop-2-enylcyclohexyl)aniline (CID 599883) is N-(1-prop-2-enylcyclohexyl)aniline.
What is the SMILES notation for N-(1-prop-2-enylcyclohexyl)aniline?
The canonical SMILES for N-(1-prop-2-enylcyclohexyl)aniline is C=CCC1(Nc2ccccc2)CCCCC1.
What is the InChIKey of N-(1-prop-2-enylcyclohexyl)aniline?
The InChIKey is FSGGHWIGDJCKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-2-11-15(12-7-4-8-13-15)16-14-9-5-3-6-10-14/h2-3,5-6,9-10,16H,1,4,7-8,11-13H2.
What are the key properties of N-(1-prop-2-enylcyclohexyl)aniline?
N-(1-prop-2-enylcyclohexyl)aniline has a molecular weight of 215.34 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-2-enylcyclohexyl)aniline is sourced from PubChem (CID 599883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).