4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine

C20H37NO2 — CID 57265762

IUPAC4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine
SMILESCCOCCCCC=CCC1(N2CCOCC2)CCCCC1C
InChIInChI=1S/C20H37NO2/c1-3-22-16-10-6-4-5-8-12-20(13-9-7-11-19(20)2)21-14-17-23-18-15-21/h5,8,19H,3-4,6-7,9-18H2,1-2H3
InChIKeyPUOAWXYIDPVZMF-UHFFFAOYSA-N
MW323.52 g/mol
LogP4.42
Rot. Bonds9

About 4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine

4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine (PubChem CID 57265762) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is 4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine.

Molecular Properties

Compound Name4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine
PubChem CID57265762
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine
SMILESCCOCCCCC=CCC1(N2CCOCC2)CCCCC1C
InChIInChI=1S/C20H37NO2/c1-3-22-16-10-6-4-5-8-12-20(13-9-7-11-19(20)2)21-14-17-23-18-15-21/h5,8,19H,3-4,6-7,9-18H2,1-2H3
InChIKeyPUOAWXYIDPVZMF-UHFFFAOYSA-N
XLogP4.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(6-Ethoxyhex-2-enyl)-2-methylcyclohexyl]morpholine
CID 57174545
4-[1-(4-Ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine
CID 139440990
4-[2-(1,2,4a,5,6,7,8,8a-Octahydronaphthalen-1-yl)propyl]morpholine
CID 141103685

Frequently Asked Questions

What is the IUPAC name of 4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine?
The IUPAC name of 4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine (CID 57265762) is 4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine.
What is the SMILES notation for 4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine?
The canonical SMILES for 4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine is CCOCCCCC=CCC1(N2CCOCC2)CCCCC1C.
What is the InChIKey of 4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine?
The InChIKey is PUOAWXYIDPVZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2/c1-3-22-16-10-6-4-5-8-12-20(13-9-7-11-19(20)2)21-14-17-23-18-15-21/h5,8,19H,3-4,6-7,9-18H2,1-2H3.
What are the key properties of 4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine?
4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine has a molecular weight of 323.52 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(7-ethoxyhept-2-enyl)-2-methylcyclohexyl]morpholine is sourced from PubChem (CID 57265762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).