1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine

C19H24N2 — CID 106652944

IUPAC1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine
SMILESCNC(/C1=C/CCCCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C19H24N2/c1-20-19(15-8-5-3-2-4-6-9-15)17-11-12-18-16(14-17)10-7-13-21-18/h7-8,10-14,19-20H,2-6,9H2,1H3/b15-8+
InChIKeyLZMDCZWXDYMROV-OVCLIPMQSA-N
MW280.42 g/mol
LogP4.78
Rot. Bonds3

About 1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine

1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine (PubChem CID 106652944) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine.

Molecular Properties

Compound Name1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine
PubChem CID106652944
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine
SMILESCNC(/C1=C/CCCCCC1)c1ccc2ncccc2c1
InChIInChI=1S/C19H24N2/c1-20-19(15-8-5-3-2-4-6-9-15)17-11-12-18-16(14-17)10-7-13-21-18/h7-8,10-14,19-20H,2-6,9H2,1H3/b15-8+
InChIKeyLZMDCZWXDYMROV-OVCLIPMQSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine with MolForge

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Related Compounds

1-(cyclopenten-1-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 62077852
1-(cyclohexen-1-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106756069
1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
1-[(1E)-cycloocten-1-yl]-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 106656781
1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021072
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105020999
1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021051
N-methyl-1-(2-methylpyrimidin-4-yl)-1-quinolin-6-ylmethanamine
CID 115530668
1-(4-chloro-3-fluorophenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 107995961
1-(4-fluoro-3-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096854
1-(3-chloro-4-fluorophenyl)-1-[(1E)-cycloocten-1-yl]-N-methylmethanamine
CID 106652930
2-(cyclohexen-1-yl)-1-quinolin-6-ylethanol
CID 116660148

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine?
The IUPAC name of 1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine (CID 106652944) is 1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine.
What is the SMILES notation for 1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine?
The canonical SMILES for 1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine is CNC(/C1=C/CCCCCC1)c1ccc2ncccc2c1.
What is the InChIKey of 1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine?
The InChIKey is LZMDCZWXDYMROV-OVCLIPMQSA-N. The full InChI is InChI=1S/C19H24N2/c1-20-19(15-8-5-3-2-4-6-9-15)17-11-12-18-16(14-17)10-7-13-21-18/h7-8,10-14,19-20H,2-6,9H2,1H3/b15-8+.
What are the key properties of 1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine?
1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine has a molecular weight of 280.42 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine is sourced from PubChem (CID 106652944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).