4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide

C9H18N4O3 — CID 83023534

IUPAC4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide
SMILESCN(C)NC(=O)C1(C(N)=NO)CCOCC1
InChIInChI=1S/C9H18N4O3/c1-13(2)11-8(14)9(7(10)12-15)3-5-16-6-4-9/h15H,3-6H2,1-2H3,(H2,10,12)(H,11,14)
InChIKeyGZUWCESFUNYOOM-UHFFFAOYSA-N
MW230.27 g/mol
LogP-0.88
Rot. Bonds3

About 4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide

4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide (PubChem CID 83023534) has the molecular formula C9H18N4O3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide.

Molecular Properties

Compound Name4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide
PubChem CID83023534
Molecular FormulaC9H18N4O3
Molecular Weight230.27 g/mol
Exact Mass230.14
IUPAC Name4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide
SMILESCN(C)NC(=O)C1(C(N)=NO)CCOCC1
InChIInChI=1S/C9H18N4O3/c1-13(2)11-8(14)9(7(10)12-15)3-5-16-6-4-9/h15H,3-6H2,1-2H3,(H2,10,12)(H,11,14)
InChIKeyGZUWCESFUNYOOM-UHFFFAOYSA-N
XLogP-0.88
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-tert-butyl-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920747
4-(N'-hydroxycarbamimidoyl)-N-(1-methylcyclobutyl)oxane-4-carboxamide
CID 113485856
N-(2-acetamidoethyl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920212
4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920789
4-(N'-hydroxycarbamimidoyl)-N-(2-methyl-2-methylsulfanylpropyl)oxane-4-carboxamide
CID 104864549
N,N-diethyl-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920640
4-(N'-hydroxycarbamimidoyl)-N-(oxan-4-ylmethyl)oxane-4-carboxamide
CID 76951306
4-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3-methylbutyl)oxane-4-carboxamide
CID 76921654
N-hexan-3-yl-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76935993
N-ethyl-4-(N'-hydroxycarbamimidoyl)-N-propyloxane-4-carboxamide
CID 76920067
4-(N'-hydroxycarbamimidoyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)oxane-4-carboxamide
CID 76923707
N-(3-ethoxypropyl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920265

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide?
The IUPAC name of 4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide (CID 83023534) is 4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide.
What is the SMILES notation for 4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide?
The canonical SMILES for 4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide is CN(C)NC(=O)C1(C(N)=NO)CCOCC1.
What is the InChIKey of 4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide?
The InChIKey is GZUWCESFUNYOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O3/c1-13(2)11-8(14)9(7(10)12-15)3-5-16-6-4-9/h15H,3-6H2,1-2H3,(H2,10,12)(H,11,14).
What are the key properties of 4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide?
4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide has a molecular weight of 230.27 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide is sourced from PubChem (CID 83023534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).