2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one

C16H29NO2 — CID 79065536

IUPAC2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)C1CCC(C)CC1)N1CCOCC1
InChIInChI=1S/C16H29NO2/c1-4-16(3,17-9-11-19-12-10-17)15(18)14-7-5-13(2)6-8-14/h13-14H,4-12H2,1-3H3
InChIKeyYJLBFKCAUXNRQM-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.88
Rot. Bonds4

About 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one

2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one (PubChem CID 79065536) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one
PubChem CID79065536
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one
SMILESCCC(C)(C(=O)C1CCC(C)CC1)N1CCOCC1
InChIInChI=1S/C16H29NO2/c1-4-16(3,17-9-11-19-12-10-17)15(18)14-7-5-13(2)6-8-14/h13-14H,4-12H2,1-3H3
InChIKeyYJLBFKCAUXNRQM-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one (CID 79065536) is 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one is CCC(C)(C(=O)C1CCC(C)CC1)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one?
The InChIKey is YJLBFKCAUXNRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-16(3,17-9-11-19-12-10-17)15(18)14-7-5-13(2)6-8-14/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one?
2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one has a molecular weight of 267.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylcyclohexyl)-2-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 79065536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).