4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine

C20H37NO — CID 57109596

IUPAC4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine
SMILESCC(=CC1CCC(C(C)(C)C)CC1)CN1CC(C)OC(C)C1
InChIInChI=1S/C20H37NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h11,16-19H,7-10,12-14H2,1-6H3
InChIKeyHJMLKXVHCUPALE-UHFFFAOYSA-N
MW307.52 g/mol
LogP4.89
Rot. Bonds3

About 4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine

4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine (PubChem CID 57109596) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine
PubChem CID57109596
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine
SMILESCC(=CC1CCC(C(C)(C)C)CC1)CN1CC(C)OC(C)C1
InChIInChI=1S/C20H37NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h11,16-19H,7-10,12-14H2,1-6H3
InChIKeyHJMLKXVHCUPALE-UHFFFAOYSA-N
XLogP4.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 54.89
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

4-[(4-Isopropenyl-1-cyclohexen-1-yl)methyl]-2,6-dimethylmorpholine
CID 2845488
4-[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethylcyclohexyl)nona-2,4,6,8-tetraenyl]morpholine
CID 44265605
Cambridge id 5421199
CID 74229167
(2R,6S)-4-[(E)-3-cyclohexylprop-2-enyl]-2,6-dimethylmorpholine
CID 164673256
4-[3-(4-Tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine
CID 13088570
(2R,6S)-4-[3-(4-tert-butylcyclohex-3-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine
CID 13088571
4-[3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]morpholine
CID 53987929
2,6-Dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]morpholine
CID 57034114
4-[(4-Tert-butylcyclohex-3-en-1-yl)methyl]morpholine
CID 70309234
4-[3-[(1S,6R)-6-tert-butylcyclohex-2-en-1-yl]-2-methylpropyl]-2,6-dimethylmorpholine
CID 70501280
4-[3-(6-Tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine
CID 70501489
(2S,6R)-4-[3-(6-tert-butylcyclohex-2-en-1-yl)-2-methylpropyl]-2,6-dimethylmorpholine
CID 70501511

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine (CID 57109596) is 4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine is CC(=CC1CCC(C(C)(C)C)CC1)CN1CC(C)OC(C)C1.
What is the InChIKey of 4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine?
The InChIKey is HJMLKXVHCUPALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h11,16-19H,7-10,12-14H2,1-6H3.
What are the key properties of 4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine?
4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine has a molecular weight of 307.52 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-tert-butylcyclohexyl)-2-methylprop-2-enyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 57109596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).