1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine

C18H27N — CID 106652697

IUPAC1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)/C1=C/CCCCCC1
InChIInChI=1S/C18H27N/c1-15-9-8-10-16(13-15)14-18(19-2)17-11-6-4-3-5-7-12-17/h8-11,13,18-19H,3-7,12,14H2,1-2H3/b17-11+
InChIKeyHDVHAPURFPGBGC-GZTJUZNOSA-N
MW257.42 g/mol
LogP4.41
Rot. Bonds4

About 1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine

1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine (PubChem CID 106652697) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine
PubChem CID106652697
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)/C1=C/CCCCCC1
InChIInChI=1S/C18H27N/c1-15-9-8-10-16(13-15)14-18(19-2)17-11-6-4-3-5-7-12-17/h8-11,13,18-19H,3-7,12,14H2,1-2H3/b17-11+
InChIKeyHDVHAPURFPGBGC-GZTJUZNOSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.41
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

1-(cyclohexen-1-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 106653438
[1-[(1E)-cycloocten-1-yl]-3-(3-methylphenyl)propyl]hydrazine
CID 106650129
1-(cyclohepten-1-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 106652784
1-(cyclohexen-1-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 62079036
1-[(1E)-cycloocten-1-yl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 106652629
1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 116661499
1-(cyclohepten-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078209
[1-(cyclohexen-1-yl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 106648692
1-(cyclohexen-1-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 62078161
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684
1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
CID 106653948
1-(3,5-dimethylthiophen-2-yl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 81155614

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine (CID 106652697) is 1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine is CNC(Cc1cccc(C)c1)/C1=C/CCCCCC1.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine?
The InChIKey is HDVHAPURFPGBGC-GZTJUZNOSA-N. The full InChI is InChI=1S/C18H27N/c1-15-9-8-10-16(13-15)14-18(19-2)17-11-6-4-3-5-7-12-17/h8-11,13,18-19H,3-7,12,14H2,1-2H3/b17-11+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine?
1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine has a molecular weight of 257.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-cycloocten-1-yl]-N-methyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 106652697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).