1-(cycloocten-1-yl)-N-methylethanamine

C11H21N — CID 106652570

IUPAC1-(cycloocten-1-yl)-N-methylethanamine
SMILESCNC(C)C1=CCCCCCC1
InChIInChI=1S/C11H21N/c1-10(12-2)11-8-6-4-3-5-7-9-11/h8,10,12H,3-7,9H2,1-2H3
InChIKeyWETLKJYVHXNMID-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.87
Rot. Bonds2

About 1-(cycloocten-1-yl)-N-methylethanamine

1-(cycloocten-1-yl)-N-methylethanamine (PubChem CID 106652570) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-N-methylethanamine
PubChem CID106652570
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-(cycloocten-1-yl)-N-methylethanamine
SMILESCNC(C)C1=CCCCCCC1
InChIInChI=1S/C11H21N/c1-10(12-2)11-8-6-4-3-5-7-9-11/h8,10,12H,3-7,9H2,1-2H3
InChIKeyWETLKJYVHXNMID-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.87
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-(cyclohepten-1-yl)-2,2-difluoro-N-methylethanamine
CID 106657108
1-(cycloocten-1-yl)-N-methyl-2-methylsulfonylpropan-1-amine
CID 106656405
1-(1-iodoethyl)cyclohexene
CID 126621262
1-(cyclohexen-1-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106827010
1-(cycloocten-1-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106653108
1-(cycloocten-1-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 106653223
1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
1-(cycloocten-1-yl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 106653796
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 57149515
1-[1-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]cyclohexene
CID 131891661
1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine
CID 82237298
1-(cyclohexen-1-yl)-2-methoxy-N-methylethanamine
CID 106652673

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-N-methylethanamine?
The IUPAC name of 1-(cycloocten-1-yl)-N-methylethanamine (CID 106652570) is 1-(cycloocten-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-(cycloocten-1-yl)-N-methylethanamine?
The canonical SMILES for 1-(cycloocten-1-yl)-N-methylethanamine is CNC(C)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-N-methylethanamine?
The InChIKey is WETLKJYVHXNMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10(12-2)11-8-6-4-3-5-7-9-11/h8,10,12H,3-7,9H2,1-2H3.
What are the key properties of 1-(cycloocten-1-yl)-N-methylethanamine?
1-(cycloocten-1-yl)-N-methylethanamine has a molecular weight of 167.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-N-methylethanamine is sourced from PubChem (CID 106652570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).