4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine

C16H31NO — CID 2846696

IUPAC4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine
SMILESCC1CN(C2CCC(C(C)(C)C)CC2)CC(C)O1
InChIInChI=1S/C16H31NO/c1-12-10-17(11-13(2)18-12)15-8-6-14(7-9-15)16(3,4)5/h12-15H,6-11H2,1-5H3
InChIKeyOWBYPXYTTWMOTK-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.70
Rot. Bonds1

About 4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine

4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine (PubChem CID 2846696) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine
PubChem CID2846696
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine
SMILESCC1CN(C2CCC(C(C)(C)C)CC2)CC(C)O1
InChIInChI=1S/C16H31NO/c1-12-10-17(11-13(2)18-12)15-8-6-14(7-9-15)16(3,4)5/h12-15H,6-11H2,1-5H3
InChIKeyOWBYPXYTTWMOTK-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cambridge id 5463541
CID 742685
Cambridge id 5513826
CID 870789
4-(4-Ethylcyclohexyl)morpholine
CID 756963
Cambridge id 5463540
CID 2846634
4-(1,5,9-Trimethyldecyl)-2,6-dimethyl morpholine
CID 85957220
(2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine
CID 124624964
(2S,6R)-4-[(1R,2S)-4-tert-butyl-2-fluorocyclohexyl]-2,6-dimethylmorpholine
CID 129258293
(2S,6R)-4-[(1R,2S)-2-fluoro-4-methylcyclohexyl]-2,6-dimethylmorpholine
CID 129268469
(3R)-4-(4-methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine
CID 170395408
4-(4-Methyl-4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)morpholine
CID 170589069
trans-(1S,2S)-4-[4-(2-ethylmorpholin-4-yl)butan-2-yl]-2-fluorocyclohexan-1-amine
CID 171831474
4-(4-Propan-2-ylcyclohexyl)morpholine;1,1,1-trifluoroethane
CID 177029774

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine?
The IUPAC name of 4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine (CID 2846696) is 4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine is CC1CN(C2CCC(C(C)(C)C)CC2)CC(C)O1.
What is the InChIKey of 4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine?
The InChIKey is OWBYPXYTTWMOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12-10-17(11-13(2)18-12)15-8-6-14(7-9-15)16(3,4)5/h12-15H,6-11H2,1-5H3.
What are the key properties of 4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine?
4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine has a molecular weight of 253.43 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 2846696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).