N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide

C11H19N3O3 — CID 80590837

IUPACN'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide
SMILESCC1CN(C(=O)C2(C(N)=NO)CCC2)CCO1
InChIInChI=1S/C11H19N3O3/c1-8-7-14(5-6-17-8)10(15)11(3-2-4-11)9(12)13-16/h8,16H,2-7H2,1H3,(H2,12,13)
InChIKeyLOIPHMKTSGRPCB-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.15
Rot. Bonds2

About N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide

N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide (PubChem CID 80590837) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide
PubChem CID80590837
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC NameN'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide
SMILESCC1CN(C(=O)C2(C(N)=NO)CCC2)CCO1
InChIInChI=1S/C11H19N3O3/c1-8-7-14(5-6-17-8)10(15)11(3-2-4-11)9(12)13-16/h8,16H,2-7H2,1H3,(H2,12,13)
InChIKeyLOIPHMKTSGRPCB-UHFFFAOYSA-N
XLogP0.15
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-1-(3-methylpiperidine-1-carbonyl)cyclopentane-1-carboximidamide
CID 76920228
(1-aminocyclopentyl)-(2-methylmorpholin-4-yl)methanone
CID 60867018
N'-hydroxy-1-(pyrrolidine-1-carbonyl)cyclobutane-1-carboximidamide
CID 80591499
N'-hydroxy-1-(2-methylthiomorpholine-4-carbonyl)cycloheptane-1-carboximidamide
CID 104871302
N'-hydroxy-1-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboximidamide
CID 76920953
1-(2,6-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclopentane-1-carboximidamide
CID 77020584
1-(3,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxycyclopropane-1-carboximidamide
CID 80594475
N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide
CID 80590834
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-N'-hydroxycyclopentane-1-carboximidamide
CID 55159374
N'-hydroxy-1-(3,4,5-trimethylpiperazine-1-carbonyl)cyclohexane-1-carboximidamide
CID 104937510
N'-hydroxy-1-(4-methylazepane-1-carbonyl)cyclobutane-1-carboximidamide
CID 80594712
1-(4,4-dimethylazepane-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80593908

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide (CID 80590837) is N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide is CC1CN(C(=O)C2(C(N)=NO)CCC2)CCO1.
What is the InChIKey of N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide?
The InChIKey is LOIPHMKTSGRPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8-7-14(5-6-17-8)10(15)11(3-2-4-11)9(12)13-16/h8,16H,2-7H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide?
N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide has a molecular weight of 241.29 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2-methylmorpholine-4-carbonyl)cyclobutane-1-carboximidamide is sourced from PubChem (CID 80590837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).