1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine

C18H33NO — CID 106654702

IUPAC1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine
SMILESCCNC(C1=CCCCCC1)C(OC)C1CCCCC1
InChIInChI=1S/C18H33NO/c1-3-19-17(15-11-7-4-5-8-12-15)18(20-2)16-13-9-6-10-14-16/h11,16-19H,3-10,12-14H2,1-2H3
InChIKeyZVIJTZPUYNKQRE-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.45
Rot. Bonds6

About 1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine

1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine (PubChem CID 106654702) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine
PubChem CID106654702
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine
SMILESCCNC(C1=CCCCCC1)C(OC)C1CCCCC1
InChIInChI=1S/C18H33NO/c1-3-19-17(15-11-7-4-5-8-12-15)18(20-2)16-13-9-6-10-14-16/h11,16-19H,3-10,12-14H2,1-2H3
InChIKeyZVIJTZPUYNKQRE-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine (CID 106654702) is 1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine is CCNC(C1=CCCCCC1)C(OC)C1CCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine?
The InChIKey is ZVIJTZPUYNKQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-19-17(15-11-7-4-5-8-12-15)18(20-2)16-13-9-6-10-14-16/h11,16-19H,3-10,12-14H2,1-2H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine?
1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine has a molecular weight of 279.47 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 106654702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).