4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine

C20H37NO — CID 70501489

IUPAC4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCC(CC1C=CCCC1C(C)(C)C)CN1CC(C)OC(C)C1
InChIInChI=1S/C20H37NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-9-7-8-10-19(18)20(4,5)6/h7,9,15-19H,8,10-14H2,1-6H3
InChIKeyFCKVXRNTSAVXJH-UHFFFAOYSA-N
MW307.52 g/mol
LogP4.75
Rot. Bonds4

About 4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine

4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine (PubChem CID 70501489) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine
PubChem CID70501489
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCC(CC1C=CCCC1C(C)(C)C)CN1CC(C)OC(C)C1
InChIInChI=1S/C20H37NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-9-7-8-10-19(18)20(4,5)6/h7,9,15-19H,8,10-14H2,1-6H3
InChIKeyFCKVXRNTSAVXJH-UHFFFAOYSA-N
XLogP4.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 2845488
CID 2845488
CID 10977479
CID 10977479
CID 386469
CID 386469
CID 74229167
CID 74229167
CID 13088570
CID 13088570
CID 13088571
CID 13088571
CID 20223282
CID 20223282
CID 57034114
CID 57034114
CID 57109596
CID 57109596
CID 58111118
CID 58111118
CID 70309234
CID 70309234
CID 70501280
CID 70501280

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine (CID 70501489) is 4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine is CC(CC1C=CCCC1C(C)(C)C)CN1CC(C)OC(C)C1.
What is the InChIKey of 4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
The InChIKey is FCKVXRNTSAVXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-9-7-8-10-19(18)20(4,5)6/h7,9,15-19H,8,10-14H2,1-6H3.
What are the key properties of 4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine?
4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine has a molecular weight of 307.52 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 70501489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).