2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone

C15H28N2O3 — CID 104678480

IUPAC2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
SMILESCC1COC(CO)CN1C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-12-10-20-13(9-18)8-17(12)14(19)7-15(11-16)5-3-2-4-6-15/h12-13,18H,2-11,16H2,1H3
InChIKeyBLWVWYMHIFSDCO-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.89
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone

2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone (PubChem CID 104678480) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
PubChem CID104678480
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
SMILESCC1COC(CO)CN1C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H28N2O3/c1-12-10-20-13(9-18)8-17(12)14(19)7-15(11-16)5-3-2-4-6-15/h12-13,18H,2-11,16H2,1H3
InChIKeyBLWVWYMHIFSDCO-UHFFFAOYSA-N
XLogP0.89
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone (CID 104678480) is 2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone is CC1COC(CO)CN1C(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
The InChIKey is BLWVWYMHIFSDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12-10-20-13(9-18)8-17(12)14(19)7-15(11-16)5-3-2-4-6-15/h12-13,18H,2-11,16H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone?
2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone has a molecular weight of 284.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 104678480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).