[1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C15H28N2O3 — CID 115442462

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1CCC(CN)(C(=O)N2CC(CO)OCC2C)CC1
InChIInChI=1S/C15H28N2O3/c1-11-3-5-15(10-16,6-4-11)14(19)17-7-13(8-18)20-9-12(17)2/h11-13,18H,3-10,16H2,1-2H3
InChIKeyGLDMFPGQMYBOPI-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.75
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

[1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 115442462) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID115442462
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1CCC(CN)(C(=O)N2CC(CO)OCC2C)CC1
InChIInChI=1S/C15H28N2O3/c1-11-3-5-15(10-16,6-4-11)14(19)17-7-13(8-18)20-9-12(17)2/h11-13,18H,3-10,16H2,1-2H3
InChIKeyGLDMFPGQMYBOPI-UHFFFAOYSA-N
XLogP0.75
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)-4-methylcyclohexyl]-(3-methylmorpholin-4-yl)methanone
CID 113310457
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cycloheptane-1-carbothioamide
CID 81194882
2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 104678480
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile
CID 81202775
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 75394541
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone
CID 81452742
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile
CID 81203042
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
[1-(aminomethyl)-4-methylcyclohexyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669058
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487
cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208351
2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide
CID 81204075

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 115442462) is [1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1CCC(CN)(C(=O)N2CC(CO)OCC2C)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is GLDMFPGQMYBOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11-3-5-15(10-16,6-4-11)14(19)17-7-13(8-18)20-9-12(17)2/h11-13,18H,3-10,16H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 284.40 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 115442462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).