[4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol

C13H24N2O2 — CID 81212714

IUPAC[4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol
SMILES[H]/N=C(\C1CCCCC1)N1CC(CO)OCC1C
InChIInChI=1S/C13H24N2O2/c1-10-9-17-12(8-16)7-15(10)13(14)11-5-3-2-4-6-11/h10-12,14,16H,2-9H2,1H3/b14-13+
InChIKeyIBYMFOCDVFPCPR-BUHFOSPRSA-N
MW240.35 g/mol
LogP1.63
Rot. Bonds2

About [4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol

[4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol (PubChem CID 81212714) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol
PubChem CID81212714
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol
SMILES[H]/N=C(\C1CCCCC1)N1CC(CO)OCC1C
InChIInChI=1S/C13H24N2O2/c1-10-9-17-12(8-16)7-15(10)13(14)11-5-3-2-4-6-11/h10-12,14,16H,2-9H2,1H3/b14-13+
InChIKeyIBYMFOCDVFPCPR-BUHFOSPRSA-N
XLogP1.63
TPSA56.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-ethanimidoyl-5-methylmorpholin-2-yl)methanol
CID 81212956
2-(hydroxymethyl)-5-methylmorpholine-4-carbothioamide
CID 81204075
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 81203650
[2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone
CID 81211556
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 81218847
3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 81209250
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 104901299
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
CID 103978998
cyclohexyl-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanimine
CID 79936177
2-(2-aminocyclohexyl)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 81213064
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(oxan-2-yl)ethanone
CID 81208543

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol (CID 81212714) is [4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol is [H]/N=C(\C1CCCCC1)N1CC(CO)OCC1C.
What is the InChIKey of [4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol?
The InChIKey is IBYMFOCDVFPCPR-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10-9-17-12(8-16)7-15(10)13(14)11-5-3-2-4-6-11/h10-12,14,16H,2-9H2,1H3/b14-13+.
What are the key properties of [4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol?
[4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol has a molecular weight of 240.35 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexanecarboximidoyl)-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81212714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).