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

C14H25NO — CID 164769288

IUPAC4-[(1S)-4-tert-butylcyclohex-3-en-1-yl]morpholine
SMILESCC(C)(C)C1=CC[C@@H](N2CCOCC2)CC1
InChIInChI=1S/C14H25NO/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15/h4,13H,5-11H2,1-3H3/t13-/m1/s1
InChIKeySFGPNRWQYLCOMB-CYBMUJFWSA-N
MW223.36 g/mol
LogP2.84
Rot. Bonds1

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

4-[(1S)-4-tert-butylcyclohex-3-en-1-yl]morpholine (PubChem CID 164769288) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-[(1S)-4-tert-butylcyclohex-3-en-1-yl]morpholine.

Molecular Properties

Compound Name4-[(1S)-4-tert-butylcyclohex-3-en-1-yl]morpholine
PubChem CID164769288
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-[(1S)-4-tert-butylcyclohex-3-en-1-yl]morpholine
SMILESCC(C)(C)C1=CC[C@@H](N2CCOCC2)CC1
InChIInChI=1S/C14H25NO/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15/h4,13H,5-11H2,1-3H3/t13-/m1/s1
InChIKeySFGPNRWQYLCOMB-CYBMUJFWSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.84
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-[(1S)-4-tert-butylcyclohex-3-en-1-yl]morpholine?
The IUPAC name of 4-[(1S)-4-tert-butylcyclohex-3-en-1-yl]morpholine (CID 164769288) is 4-[(1S)-4-tert-butylcyclohex-3-en-1-yl]morpholine.
What is the SMILES notation for 4-[(1S)-4-tert-butylcyclohex-3-en-1-yl]morpholine?
The canonical SMILES for 4-[(1S)-4-tert-butylcyclohex-3-en-1-yl]morpholine is CC(C)(C)C1=CC[C@@H](N2CCOCC2)CC1.
What is the InChIKey of 4-[(1S)-4-tert-butylcyclohex-3-en-1-yl]morpholine?
The InChIKey is SFGPNRWQYLCOMB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(2,3)12-4-6-13(7-5-12)15-8-10-16-11-9-15/h4,13H,5-11H2,1-3H3/t13-/m1/s1.
What are the key properties of 4-[(1S)-4-tert-butylcyclohex-3-en-1-yl]morpholine?
4-[(1S)-4-tert-butylcyclohex-3-en-1-yl]morpholine has a molecular weight of 223.36 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-4-tert-butylcyclohex-3-en-1-yl]morpholine is sourced from PubChem (CID 164769288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).