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

C17H25N — CID 106652462

IUPAC[(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine
SMILESCCc1ccc(C(N)/C2=C/CCCCCC2)cc1
InChIInChI=1S/C17H25N/c1-2-14-10-12-16(13-11-14)17(18)15-8-6-4-3-5-7-9-15/h8,10-13,17H,2-7,9,18H2,1H3/b15-8+
InChIKeyUBNJUSGYPMOMLQ-OVCLIPMQSA-N
MW243.39 g/mol
LogP4.53
Rot. Bonds3

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

[(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine (PubChem CID 106652462) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine
PubChem CID106652462
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name[(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine
SMILESCCc1ccc(C(N)/C2=C/CCCCCC2)cc1
InChIInChI=1S/C17H25N/c1-2-14-10-12-16(13-11-14)17(18)15-8-6-4-3-5-7-9-15/h8,10-13,17H,2-7,9,18H2,1H3/b15-8+
InChIKeyUBNJUSGYPMOMLQ-OVCLIPMQSA-N
XLogP4.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.53
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-(4-ethylphenyl)methyl]hydrazine
CID 106648595
1-(cyclopenten-1-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 62079794
[(1E)-cycloocten-1-yl]-(5-ethylthiophen-2-yl)methanamine
CID 106656355
(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656508
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316
cyclohepten-1-yl-(3,5-difluorophenyl)methanamine
CID 62080192
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
cyclohexen-1-yl(pyrimidin-5-yl)methanamine
CID 106657338
cyclohexen-1-yl-(2-methyl-4-pyridinyl)methanamine
CID 106756070
cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 55231459
2,3-dihydrofuran-5-yl-(4-ethylphenyl)methanamine
CID 102651207

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine?
The IUPAC name of [(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine (CID 106652462) is [(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine is CCc1ccc(C(N)/C2=C/CCCCCC2)cc1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine?
The InChIKey is UBNJUSGYPMOMLQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C17H25N/c1-2-14-10-12-16(13-11-14)17(18)15-8-6-4-3-5-7-9-15/h8,10-13,17H,2-7,9,18H2,1H3/b15-8+.
What are the key properties of [(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine?
[(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine has a molecular weight of 243.39 g/mol, XLogP of 4.53, 3 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-ethylphenyl)methanamine is sourced from PubChem (CID 106652462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).