2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one

C16H29NO2 — CID 55106206

IUPAC2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC1CN(CC2CC(C(C)C)CCC2=O)CC(C)O1
InChIInChI=1S/C16H29NO2/c1-11(2)14-5-6-16(18)15(7-14)10-17-8-12(3)19-13(4)9-17/h11-15H,5-10H2,1-4H3
InChIKeyYZKRNMBXDGDMLU-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.74
Rot. Bonds3

About 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one

2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one (PubChem CID 55106206) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one
PubChem CID55106206
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC1CN(CC2CC(C(C)C)CCC2=O)CC(C)O1
InChIInChI=1S/C16H29NO2/c1-11(2)14-5-6-16(18)15(7-14)10-17-8-12(3)19-13(4)9-17/h11-15H,5-10H2,1-4H3
InChIKeyYZKRNMBXDGDMLU-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one (CID 55106206) is 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one is CC1CN(CC2CC(C(C)C)CCC2=O)CC(C)O1.
What is the InChIKey of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one?
The InChIKey is YZKRNMBXDGDMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-11(2)14-5-6-16(18)15(7-14)10-17-8-12(3)19-13(4)9-17/h11-15H,5-10H2,1-4H3.
What are the key properties of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one?
2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one has a molecular weight of 267.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 55106206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).