1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine

C17H31NO — CID 106654643

IUPAC1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
SMILESCCOC1(C(NC)C2=CCCCC2)CCC(C)CC1
InChIInChI=1S/C17H31NO/c1-4-19-17(12-10-14(2)11-13-17)16(18-3)15-8-6-5-7-9-15/h8,14,16,18H,4-7,9-13H2,1-3H3
InChIKeyOMUDGGQOHHZNHJ-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.06
Rot. Bonds5

About 1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine

1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine (PubChem CID 106654643) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
PubChem CID106654643
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
SMILESCCOC1(C(NC)C2=CCCCC2)CCC(C)CC1
InChIInChI=1S/C17H31NO/c1-4-19-17(12-10-14(2)11-13-17)16(18-3)15-8-6-5-7-9-15/h8,14,16,18H,4-7,9-13H2,1-3H3
InChIKeyOMUDGGQOHHZNHJ-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.06
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

1-(cyclohepten-1-yl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 106654657
[cyclohexen-1-yl-(1-ethoxy-3-methylcyclohexyl)methyl]hydrazine
CID 106649638
1-(cyclohexen-1-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 106654422
N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 106654605
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 116767095
1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116767179
N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 102648132
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 116767194
1-[cyclohexen-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 106649217
1-[cycloocten-1-yl(hydrazinyl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 106649218
N-[(1-ethoxy-4-methylcyclohexyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 116767370
1-(cyclohexen-1-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106827010

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine (CID 106654643) is 1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine is CCOC1(C(NC)C2=CCCCC2)CCC(C)CC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine?
The InChIKey is OMUDGGQOHHZNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-19-17(12-10-14(2)11-13-17)16(18-3)15-8-6-5-7-9-15/h8,14,16,18H,4-7,9-13H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine?
1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine has a molecular weight of 265.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 106654643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).