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

C18H33NO — CID 106654714

IUPAC1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-ethylethanamine
SMILESCCNC(C1=CCCCC1)C(OCC)C1CCCCC1
InChIInChI=1S/C18H33NO/c1-3-19-17(15-11-7-5-8-12-15)18(20-4-2)16-13-9-6-10-14-16/h11,16-19H,3-10,12-14H2,1-2H3
InChIKeyGBKGTSBPEJXXQN-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.45
Rot. Bonds7

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

1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-ethylethanamine (PubChem CID 106654714) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-ethylethanamine
PubChem CID106654714
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-ethylethanamine
SMILESCCNC(C1=CCCCC1)C(OCC)C1CCCCC1
InChIInChI=1S/C18H33NO/c1-3-19-17(15-11-7-5-8-12-15)18(20-4-2)16-13-9-6-10-14-16/h11,16-19H,3-10,12-14H2,1-2H3
InChIKeyGBKGTSBPEJXXQN-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-ethylethanamine (CID 106654714) is 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-ethylethanamine is CCNC(C1=CCCCC1)C(OCC)C1CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-ethylethanamine?
The InChIKey is GBKGTSBPEJXXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-3-19-17(15-11-7-5-8-12-15)18(20-4-2)16-13-9-6-10-14-16/h11,16-19H,3-10,12-14H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-ethylethanamine?
1-(cyclohexen-1-yl)-2-cyclohexyl-2-ethoxy-N-ethylethanamine has a molecular weight of 279.47 g/mol, XLogP of 4.45, 7 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-ethylethanamine is sourced from PubChem (CID 106654714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).