4-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine

C15H27NO — CID 70309234

IUPAC4-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine
SMILESCC(C)(C)C1=CCC(CN2CCOCC2)CC1
InChIInChI=1S/C15H27NO/c1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16/h6,13H,4-5,7-12H2,1-3H3
InChIKeyWUHZWQNEBBGOIG-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.09
Rot. Bonds2

About 4-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine

4-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine (PubChem CID 70309234) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine
PubChem CID70309234
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name4-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine
SMILESCC(C)(C)C1=CCC(CN2CCOCC2)CC1
InChIInChI=1S/C15H27NO/c1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16/h6,13H,4-5,7-12H2,1-3H3
InChIKeyWUHZWQNEBBGOIG-UHFFFAOYSA-N
XLogP3.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine?
The IUPAC name of 4-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine (CID 70309234) is 4-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine is CC(C)(C)C1=CCC(CN2CCOCC2)CC1.
What is the InChIKey of 4-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine?
The InChIKey is WUHZWQNEBBGOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-15(2,3)14-6-4-13(5-7-14)12-16-8-10-17-11-9-16/h6,13H,4-5,7-12H2,1-3H3.
What are the key properties of 4-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine?
4-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine has a molecular weight of 237.39 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylcyclohex-3-en-1-yl)methyl]morpholine is sourced from PubChem (CID 70309234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).