N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine

C17H31N — CID 106656551

IUPACN-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(C1=CCCCCCC1)C1(C)CCCC1
InChIInChI=1S/C17H31N/c1-3-18-16(17(2)13-9-10-14-17)15-11-7-5-4-6-8-12-15/h11,16,18H,3-10,12-14H2,1-2H3
InChIKeyQXZLKNICMIUILO-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.83
Rot. Bonds4

About N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine

N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine (PubChem CID 106656551) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine
PubChem CID106656551
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine
SMILESCCNC(C1=CCCCCCC1)C1(C)CCCC1
InChIInChI=1S/C17H31N/c1-3-18-16(17(2)13-9-10-14-17)15-11-7-5-4-6-8-12-15/h11,16,18H,3-10,12-14H2,1-2H3
InChIKeyQXZLKNICMIUILO-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.83
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-1-(1-methylcyclohexyl)methanamine
CID 106827010
[cycloocten-1-yl-(1-methylcyclopropyl)methyl]hydrazine
CID 106649341
1-[cyclohepten-1-yl(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 106653712
N-[cyclohepten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477455
[cyclohepten-1-yl-(1-ethylcyclopentyl)methyl]hydrazine
CID 106650394
N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 106654605
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150
N-[(4-fluorophenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106826887
1-[cyclohexen-1-yl(hydrazinyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 106649202
1-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805
N-[(4-fluoro-2,6-dimethylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106878275
N-[cyclohexen-1-yl-(1-methoxy-4,4-dimethylcyclohexyl)methyl]propan-1-amine
CID 106654677

Frequently Asked Questions

What is the IUPAC name of N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine (CID 106656551) is N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine is CCNC(C1=CCCCCCC1)C1(C)CCCC1.
What is the InChIKey of N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine?
The InChIKey is QXZLKNICMIUILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-3-18-16(17(2)13-9-10-14-17)15-11-7-5-4-6-8-12-15/h11,16,18H,3-10,12-14H2,1-2H3.
What are the key properties of N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine?
N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine has a molecular weight of 249.44 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloocten-1-yl-(1-methylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 106656551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).