4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine

C16H29NO — CID 139440990

IUPAC4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine
SMILESCCC1C=CC(CC(C)(C)N2CCOCC2)CC1
InChIInChI=1S/C16H29NO/c1-4-14-5-7-15(8-6-14)13-16(2,3)17-9-11-18-12-10-17/h5,7,14-15H,4,6,8-13H2,1-3H3
InChIKeyGKGALADPVADVNJ-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.48
Rot. Bonds4

About 4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine

4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine (PubChem CID 139440990) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine
PubChem CID139440990
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine
SMILESCCC1C=CC(CC(C)(C)N2CCOCC2)CC1
InChIInChI=1S/C16H29NO/c1-4-14-5-7-15(8-6-14)13-16(2,3)17-9-11-18-12-10-17/h5,7,14-15H,4,6,8-13H2,1-3H3
InChIKeyGKGALADPVADVNJ-UHFFFAOYSA-N
XLogP3.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
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 4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine?
The IUPAC name of 4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine (CID 139440990) is 4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine.
What is the SMILES notation for 4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine?
The canonical SMILES for 4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine is CCC1C=CC(CC(C)(C)N2CCOCC2)CC1.
What is the InChIKey of 4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine?
The InChIKey is GKGALADPVADVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-14-5-7-15(8-6-14)13-16(2,3)17-9-11-18-12-10-17/h5,7,14-15H,4,6,8-13H2,1-3H3.
What are the key properties of 4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine?
4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine has a molecular weight of 251.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethylcyclohex-2-en-1-yl)-2-methylpropan-2-yl]morpholine is sourced from PubChem (CID 139440990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).