3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid

C15H28N2O3 — CID 79636456

IUPAC3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC(N2CCOCC2C)C1
InChIInChI=1S/C15H28N2O3/c1-3-7-16-15(14(18)19)6-4-5-13(10-15)17-8-9-20-11-12(17)2/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyGLYWEIGCLJOGFG-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.47
Rot. Bonds5

About 3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid

3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid (PubChem CID 79636456) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid
PubChem CID79636456
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCCC(N2CCOCC2C)C1
InChIInChI=1S/C15H28N2O3/c1-3-7-16-15(14(18)19)6-4-5-13(10-15)17-8-9-20-11-12(17)2/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyGLYWEIGCLJOGFG-UHFFFAOYSA-N
XLogP1.47
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-3-(3-methylmorpholin-4-yl)cyclopentane-1-carboxylic acid
CID 79655261
3-(1-oxo-1,4-thiazinan-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79642295
3-(2-methylazepan-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79633722
3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79641319
3-[methyl(oxolan-3-yl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 82743171
1-(ethylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
CID 102886193
[1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclopentyl]methanol
CID 79655799
3-(2-ethylpyrrolidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79636030
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 82753519
1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclohexane-1-carbonitrile
CID 79625720
3-(2-ethylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carboxamide
CID 79626937
3-(3-ethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79626631

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid (CID 79636456) is 3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid is CCCNC1(C(=O)O)CCCC(N2CCOCC2C)C1.
What is the InChIKey of 3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid?
The InChIKey is GLYWEIGCLJOGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-7-16-15(14(18)19)6-4-5-13(10-15)17-8-9-20-11-12(17)2/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid?
3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylmorpholin-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79636456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).