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

C17H25N — CID 106652492

IUPAC1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(/C1=C/CCCCCC1)c1ccc(C)cc1
InChIInChI=1S/C17H25N/c1-14-10-12-16(13-11-14)17(18-2)15-8-6-4-3-5-7-9-15/h8,10-13,17-18H,3-7,9H2,1-2H3/b15-8+
InChIKeyVZBQBGJJBAQEJJ-OVCLIPMQSA-N
MW243.39 g/mol
LogP4.54
Rot. Bonds3

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

1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 106652492) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID106652492
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(/C1=C/CCCCCC1)c1ccc(C)cc1
InChIInChI=1S/C17H25N/c1-14-10-12-16(13-11-14)17(18-2)15-8-6-4-3-5-7-9-15/h8,10-13,17-18H,3-7,9H2,1-2H3/b15-8+
InChIKeyVZBQBGJJBAQEJJ-OVCLIPMQSA-N
XLogP4.54
TPSA12.03 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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine
CID 82237298
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
1-(cyclopenten-1-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 62079794
1-(cyclohexen-1-yl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 55034413
1-(2-chloro-4-methylphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 106859015
1-(4-chloro-3-fluorophenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 107995961
1-(3-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106652930
1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 62080331
1-(2-bromo-5-methylphenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 81109444
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 55160436
1-(cyclohexen-1-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106756069

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine (CID 106652492) is 1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine is CNC(/C1=C/CCCCCC1)c1ccc(C)cc1.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is VZBQBGJJBAQEJJ-OVCLIPMQSA-N. The full InChI is InChI=1S/C17H25N/c1-14-10-12-16(13-11-14)17(18-2)15-8-6-4-3-5-7-9-15/h8,10-13,17-18H,3-7,9H2,1-2H3/b15-8+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine?
1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 243.39 g/mol, XLogP of 4.54, 3 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-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 106652492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).