2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid

C16H29NO3 — CID 63068743

IUPAC2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N2CC(C)OC(C)C2)C1
InChIInChI=1S/C16H29NO3/c1-4-5-13-6-7-14(16(18)19)15(8-13)17-9-11(2)20-12(3)10-17/h11-15H,4-10H2,1-3H3,(H,18,19)
InChIKeyMHSXGPKWSFKOAJ-UHFFFAOYSA-N
MW283.41 g/mol
LogP2.77
Rot. Bonds4

About 2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid

2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid (PubChem CID 63068743) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid
PubChem CID63068743
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N2CC(C)OC(C)C2)C1
InChIInChI=1S/C16H29NO3/c1-4-5-13-6-7-14(16(18)19)15(8-13)17-9-11(2)20-12(3)10-17/h11-15H,4-10H2,1-3H3,(H,18,19)
InChIKeyMHSXGPKWSFKOAJ-UHFFFAOYSA-N
XLogP2.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069609
2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069621
2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694598
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexane-1-carboxylic acid
CID 79935193
4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114597377
2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 103540460
2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid
CID 114991724
2-(2,6-dimethylmorpholin-4-yl)-4-ethylcyclohexan-1-amine
CID 16794711
2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid
CID 107889260
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-ethyl-N-methylcyclohexan-1-amine
CID 104958321
4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 63620374
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 63067084

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid (CID 63068743) is 2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(N2CC(C)OC(C)C2)C1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is MHSXGPKWSFKOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-5-13-6-7-14(16(18)19)15(8-13)17-9-11(2)20-12(3)10-17/h11-15H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid?
2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 283.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63068743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).