4-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine

C13H23NO — CID 138459739

IUPAC4-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine
SMILESCC(C)C1=CCC(N2CCOCC2)CC1
InChIInChI=1S/C13H23NO/c1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14/h3,11,13H,4-10H2,1-2H3
InChIKeyAQAWGQBNCFZPMS-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.45
Rot. Bonds2

About 4-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine

4-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine (PubChem CID 138459739) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine.

Molecular Properties

Compound Name4-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine
PubChem CID138459739
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine
SMILESCC(C)C1=CCC(N2CCOCC2)CC1
InChIInChI=1S/C13H23NO/c1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14/h3,11,13H,4-10H2,1-2H3
InChIKeyAQAWGQBNCFZPMS-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.45
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-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine?
The IUPAC name of 4-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine (CID 138459739) is 4-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine.
What is the SMILES notation for 4-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine?
The canonical SMILES for 4-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine is CC(C)C1=CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine?
The InChIKey is AQAWGQBNCFZPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14/h3,11,13H,4-10H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine?
4-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine has a molecular weight of 209.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylcyclohex-3-en-1-yl)morpholine is sourced from PubChem (CID 138459739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).