[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine

C16H23N — CID 106652452

IUPAC[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)/C2=C/CCCCCC2)cc1
InChIInChI=1S/C16H23N/c1-13-9-11-15(12-10-13)16(17)14-7-5-3-2-4-6-8-14/h7,9-12,16H,2-6,8,17H2,1H3/b14-7+
InChIKeyWYTLAACDYWSING-VGOFMYFVSA-N
MW229.37 g/mol
LogP4.28
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine

[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine (PubChem CID 106652452) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
PubChem CID106652452
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
SMILESCc1ccc(C(N)/C2=C/CCCCCC2)cc1
InChIInChI=1S/C16H23N/c1-13-9-11-15(12-10-13)16(17)14-7-5-3-2-4-6-8-14/h7,9-12,16H,2-6,8,17H2,1H3/b14-7+
InChIKeyWYTLAACDYWSING-VGOFMYFVSA-N
XLogP4.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.28
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-ethylphenyl)methanamine
CID 106652462
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656508
1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
1-(cyclohepten-1-yl)-3-(4-methylphenyl)propan-1-amine
CID 106657002
[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methanamine
CID 106656353
cyclohexen-1-yl-(2-methyl-4-pyridinyl)methanamine
CID 106756070
cyclohepten-1-yl-(3,5-difluorophenyl)methanamine
CID 62080192
cyclohexen-1-yl(pyrimidin-5-yl)methanamine
CID 106657338
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 [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine?
The IUPAC name of [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine (CID 106652452) is [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine is Cc1ccc(C(N)/C2=C/CCCCCC2)cc1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine?
The InChIKey is WYTLAACDYWSING-VGOFMYFVSA-N. The full InChI is InChI=1S/C16H23N/c1-13-9-11-15(12-10-13)16(17)14-7-5-3-2-4-6-8-14/h7,9-12,16H,2-6,8,17H2,1H3/b14-7+.
What are the key properties of [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine?
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine has a molecular weight of 229.37 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine is sourced from PubChem (CID 106652452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).