(4-butanimidoyl-6-methylmorpholin-2-yl)methanol

C10H20N2O2 — CID 102936546

IUPAC(4-butanimidoyl-6-methylmorpholin-2-yl)methanol
SMILES[H]/N=C(\CCC)N1CC(C)OC(CO)C1
InChIInChI=1S/C10H20N2O2/c1-3-4-10(11)12-5-8(2)14-9(6-12)7-13/h8-9,11,13H,3-7H2,1-2H3/b11-10+
InChIKeySHCWOFKPWWLGLS-ZHACJKMWSA-N
MW200.28 g/mol
LogP0.85
Rot. Bonds3

About (4-butanimidoyl-6-methylmorpholin-2-yl)methanol

(4-butanimidoyl-6-methylmorpholin-2-yl)methanol (PubChem CID 102936546) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (4-butanimidoyl-6-methylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(4-butanimidoyl-6-methylmorpholin-2-yl)methanol
PubChem CID102936546
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(4-butanimidoyl-6-methylmorpholin-2-yl)methanol
SMILES[H]/N=C(\CCC)N1CC(C)OC(CO)C1
InChIInChI=1S/C10H20N2O2/c1-3-4-10(11)12-5-8(2)14-9(6-12)7-13/h8-9,11,13H,3-7H2,1-2H3/b11-10+
InChIKeySHCWOFKPWWLGLS-ZHACJKMWSA-N
XLogP0.85
TPSA56.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.85
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

2-(hydroxymethyl)-6-methylmorpholine-4-carboximidamide
CID 102936516
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
CID 102934611
1-butanimidoyl-N,N,4-trimethylpyrrolidin-3-amine
CID 81474414
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-propoxypropan-1-one
CID 102934680
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984
2-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]hexan-1-one
CID 102932547
4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938983
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
3-amino-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102932658
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
CID 107989722
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290

Frequently Asked Questions

What is the IUPAC name of (4-butanimidoyl-6-methylmorpholin-2-yl)methanol?
The IUPAC name of (4-butanimidoyl-6-methylmorpholin-2-yl)methanol (CID 102936546) is (4-butanimidoyl-6-methylmorpholin-2-yl)methanol.
What is the SMILES notation for (4-butanimidoyl-6-methylmorpholin-2-yl)methanol?
The canonical SMILES for (4-butanimidoyl-6-methylmorpholin-2-yl)methanol is [H]/N=C(\CCC)N1CC(C)OC(CO)C1.
What is the InChIKey of (4-butanimidoyl-6-methylmorpholin-2-yl)methanol?
The InChIKey is SHCWOFKPWWLGLS-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-4-10(11)12-5-8(2)14-9(6-12)7-13/h8-9,11,13H,3-7H2,1-2H3/b11-10+.
What are the key properties of (4-butanimidoyl-6-methylmorpholin-2-yl)methanol?
(4-butanimidoyl-6-methylmorpholin-2-yl)methanol has a molecular weight of 200.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butanimidoyl-6-methylmorpholin-2-yl)methanol is sourced from PubChem (CID 102936546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).