2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine

C20H39NO — CID 14303136

IUPAC2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine
SMILESCC1CN(C2CCC(C(C)(C)CC(C)(C)C)CC2)CC(C)O1
InChIInChI=1S/C20H39NO/c1-15-12-21(13-16(2)22-15)18-10-8-17(9-11-18)20(6,7)14-19(3,4)5/h15-18H,8-14H2,1-7H3
InChIKeyLLEUUEWZARYFJH-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.12
Rot. Bonds3

About 2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine

2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine (PubChem CID 14303136) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine
PubChem CID14303136
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine
SMILESCC1CN(C2CCC(C(C)(C)CC(C)(C)C)CC2)CC(C)O1
InChIInChI=1S/C20H39NO/c1-15-12-21(13-16(2)22-15)18-10-8-17(9-11-18)20(6,7)14-19(3,4)5/h15-18H,8-14H2,1-7H3
InChIKeyLLEUUEWZARYFJH-UHFFFAOYSA-N
XLogP5.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine with MolForge

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Related Compounds

Cambridge id 5463541
CID 742685
4-(4-Tert-butylcyclohexyl)-2,6-dimethylmorpholine
CID 2846696
4-(4-Ethylcyclohexyl)morpholine
CID 756963
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)-2-fluoro-4-[4-(2-propan-2-ylmorpholin-4-yl)butan-2-yl]cyclohexan-1-amine
CID 175638445
3,3-Difluoro-1-(2-propan-2-yloxyethyl)-4-(2,4,4,5-tetramethylhexan-2-yl)piperidine
CID 177178872
Morpholine, 4-(4-ethylcyclohexyl)-2,6-dimethyl-
CID 2845392

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine (CID 14303136) is 2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine is CC1CN(C2CCC(C(C)(C)CC(C)(C)C)CC2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine?
The InChIKey is LLEUUEWZARYFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-15-12-21(13-16(2)22-15)18-10-8-17(9-11-18)20(6,7)14-19(3,4)5/h15-18H,8-14H2,1-7H3.
What are the key properties of 2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine?
2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine has a molecular weight of 309.54 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(2,4,4-trimethylpentan-2-yl)cyclohexyl]morpholine is sourced from PubChem (CID 14303136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).