(2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C14H26N2O3 — CID 81213770

IUPAC(2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1CCCC(N)C1C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C14H26N2O3/c1-9-4-3-5-12(15)13(9)14(18)16-6-11(7-17)19-8-10(16)2/h9-13,17H,3-8,15H2,1-2H3
InChIKeyDZDKYVHEUMXTFB-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.36
Rot. Bonds2

About (2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

(2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 81213770) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID81213770
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1CCCC(N)C1C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C14H26N2O3/c1-9-4-3-5-12(15)13(9)14(18)16-6-11(7-17)19-8-10(16)2/h9-13,17H,3-8,15H2,1-2H3
InChIKeyDZDKYVHEUMXTFB-UHFFFAOYSA-N
XLogP0.36
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminocyclohexyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81213064
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
CID 103978998
2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81196297
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 104901299
3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 81209250
2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208049
cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208351
2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide
CID 81204075
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 81203650

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of (2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 81213770) is (2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for (2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1CCCC(N)C1C(=O)N1CC(CO)OCC1C.
What is the InChIKey of (2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is DZDKYVHEUMXTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9-4-3-5-12(15)13(9)14(18)16-6-11(7-17)19-8-10(16)2/h9-13,17H,3-8,15H2,1-2H3.
What are the key properties of (2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
(2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 270.37 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 81213770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).