cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine

C15H21N — CID 62078316

IUPACcyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)C2=CCCCC2)c1
InChIInChI=1S/C15H21N/c1-11-8-12(2)10-14(9-11)15(16)13-6-4-3-5-7-13/h6,8-10,15H,3-5,7,16H2,1-2H3
InChIKeyAYXLHIXUTLQYLW-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.80
Rot. Bonds2

About cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine

cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine (PubChem CID 62078316) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
PubChem CID62078316
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Namecyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc(C(N)C2=CCCCC2)c1
InChIInChI=1S/C15H21N/c1-11-8-12(2)10-14(9-11)15(16)13-6-4-3-5-7-13/h6,8-10,15H,3-5,7,16H2,1-2H3
InChIKeyAYXLHIXUTLQYLW-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
cyclohepten-1-yl-(3,5-difluorophenyl)methanamine
CID 62080192
cyclohexen-1-yl-(2-methyl-4-pyridinyl)methanamine
CID 106756070
(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656508
cyclohexen-1-yl(pyrimidin-5-yl)methanamine
CID 106657338
[(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine
CID 106652462
bis(3,5-dimethylphenyl)methanamine
CID 115796405
cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 62078656
cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 63047741
cyclohexen-1-yl-(2,5-dimethylpyrazol-3-yl)methanamine
CID 106657216
cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 55231459
cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine
CID 82236067

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine?
The IUPAC name of cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine (CID 62078316) is cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine?
The canonical SMILES for cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc(C(N)C2=CCCCC2)c1.
What is the InChIKey of cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine?
The InChIKey is AYXLHIXUTLQYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11-8-12(2)10-14(9-11)15(16)13-6-4-3-5-7-13/h6,8-10,15H,3-5,7,16H2,1-2H3.
What are the key properties of cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine?
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine has a molecular weight of 215.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 62078316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).