1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine

C18H33NO — CID 106654657

IUPAC1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
SMILESCCOC1(C(NC)C2=CCCCCC2)CCCC(C)C1
InChIInChI=1S/C18H33NO/c1-4-20-18(13-9-10-15(2)14-18)17(19-3)16-11-7-5-6-8-12-16/h11,15,17,19H,4-10,12-14H2,1-3H3
InChIKeyRBWPCRQVNUIUQY-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.45
Rot. Bonds5

About 1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine

1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine (PubChem CID 106654657) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
PubChem CID106654657
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
SMILESCCOC1(C(NC)C2=CCCCCC2)CCCC(C)C1
InChIInChI=1S/C18H33NO/c1-4-20-18(13-9-10-15(2)14-18)17(19-3)16-11-7-5-6-8-12-16/h11,15,17,19H,4-10,12-14H2,1-3H3
InChIKeyRBWPCRQVNUIUQY-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

[cyclohexen-1-yl-(1-ethoxy-3-methylcyclohexyl)methyl]hydrazine
CID 106649638
1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 106654643
1-(cyclohexen-1-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 106654422
1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768316
1-(2,3-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768338
N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 106654605
1-(2,3-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768334
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-iodophenyl)-N-methylethanamine
CID 116768271
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine
CID 116768285
cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 106652274
N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 116768386
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine (CID 106654657) is 1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine is CCOC1(C(NC)C2=CCCCCC2)CCCC(C)C1.
What is the InChIKey of 1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine?
The InChIKey is RBWPCRQVNUIUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-4-20-18(13-9-10-15(2)14-18)17(19-3)16-11-7-5-6-8-12-16/h11,15,17,19H,4-10,12-14H2,1-3H3.
What are the key properties of 1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine?
1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine has a molecular weight of 279.47 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 106654657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).