1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine

C17H31NO — CID 106654711

IUPAC1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine
SMILESCCOC(C1CCCCC1)C(NC)C1=CCCCC1
InChIInChI=1S/C17H31NO/c1-3-19-17(15-12-8-5-9-13-15)16(18-2)14-10-6-4-7-11-14/h10,15-18H,3-9,11-13H2,1-2H3
InChIKeyYFBKRNOUNOCQON-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.06
Rot. Bonds6

About 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine

1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine (PubChem CID 106654711) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine
PubChem CID106654711
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine
SMILESCCOC(C1CCCCC1)C(NC)C1=CCCCC1
InChIInChI=1S/C17H31NO/c1-3-19-17(15-12-8-5-9-13-15)16(18-2)14-10-6-4-7-11-14/h10,15-18H,3-9,11-13H2,1-2H3
InChIKeyYFBKRNOUNOCQON-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine (CID 106654711) is 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine is CCOC(C1CCCCC1)C(NC)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine?
The InChIKey is YFBKRNOUNOCQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-3-19-17(15-12-8-5-9-13-15)16(18-2)14-10-6-4-7-11-14/h10,15-18H,3-9,11-13H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine?
1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine has a molecular weight of 265.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 106654711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).