4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine

C15H27NO — CID 10977479

IUPAC4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine
SMILESCC1=CC[C@H](C(C)CCN2CCOCC2)CC1
InChIInChI=1S/C15H27NO/c1-13-3-5-15(6-4-13)14(2)7-8-16-9-11-17-12-10-16/h3,14-15H,4-12H2,1-2H3/t14?,15-/m0/s1
InChIKeyAUHZNHJBKOZUMT-LOACHALJSA-N
MW237.39 g/mol
LogP3.09
Rot. Bonds4

About 4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine

4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine (PubChem CID 10977479) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine.

Molecular Properties

Compound Name4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine
PubChem CID10977479
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine
SMILESCC1=CC[C@H](C(C)CCN2CCOCC2)CC1
InChIInChI=1S/C15H27NO/c1-13-3-5-15(6-4-13)14(2)7-8-16-9-11-17-12-10-16/h3,14-15H,4-12H2,1-2H3/t14?,15-/m0/s1
InChIKeyAUHZNHJBKOZUMT-LOACHALJSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.09
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-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine?
The IUPAC name of 4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine (CID 10977479) is 4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine.
What is the SMILES notation for 4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine?
The canonical SMILES for 4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine is CC1=CC[C@H](C(C)CCN2CCOCC2)CC1.
What is the InChIKey of 4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine?
The InChIKey is AUHZNHJBKOZUMT-LOACHALJSA-N. The full InChI is InChI=1S/C15H27NO/c1-13-3-5-15(6-4-13)14(2)7-8-16-9-11-17-12-10-16/h3,14-15H,4-12H2,1-2H3/t14?,15-/m0/s1.
What are the key properties of 4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine?
4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine has a molecular weight of 237.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]morpholine is sourced from PubChem (CID 10977479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).