N-amino-N'-methyl-1,4-dioxane-2-carboximidamide

C6H13N3O2 — CID 62804930

IUPACN-amino-N'-methyl-1,4-dioxane-2-carboximidamide
SMILESC/N=C(\NN)C1COCCO1
InChIInChI=1S/C6H13N3O2/c1-8-6(9-7)5-4-10-2-3-11-5/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyHPGAEMKFWOCEHY-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.11
Rot. Bonds1

About N-amino-N'-methyl-1,4-dioxane-2-carboximidamide

N-amino-N'-methyl-1,4-dioxane-2-carboximidamide (PubChem CID 62804930) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-amino-N'-methyl-1,4-dioxane-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-methyl-1,4-dioxane-2-carboximidamide
PubChem CID62804930
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN-amino-N'-methyl-1,4-dioxane-2-carboximidamide
SMILESC/N=C(\NN)C1COCCO1
InChIInChI=1S/C6H13N3O2/c1-8-6(9-7)5-4-10-2-3-11-5/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyHPGAEMKFWOCEHY-UHFFFAOYSA-N
XLogP-1.11
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-prop-1-en-2-yl-1,4-dioxane
CID 178036695
N-methoxy-1,4-dioxane-2-carboxamide
CID 60756146
N-(2-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 81424788
formic acid;methyl 1,4-dioxane-2-carboxylate
CID 143754061
2-(1-chloroethenyl)-1,4-dioxane;hydron
CID 174261802
N-amino-N'-tert-butyloxane-2-carboximidamide
CID 62213926
1-amino-2-(1,4-dioxepan-6-yl)guanidine
CID 126996388
2-[(Z)-1,2-difluoroethenyl]-1,4-dioxane
CID 23261789
N-(1-amino-4-methylpentan-3-yl)-1,4-dioxane-2-carboxamide
CID 106356890
N-(2-aminobutyl)-1,4-dioxane-2-carboxamide
CID 63733447
N-(3-amino-2-methylpropyl)-1,4-dioxane-2-carboxamide
CID 62798849
butyl 1,4-dioxane-2-carboxylate
CID 112727937

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-methyl-1,4-dioxane-2-carboximidamide?
The IUPAC name of N-amino-N'-methyl-1,4-dioxane-2-carboximidamide (CID 62804930) is N-amino-N'-methyl-1,4-dioxane-2-carboximidamide.
What is the SMILES notation for N-amino-N'-methyl-1,4-dioxane-2-carboximidamide?
The canonical SMILES for N-amino-N'-methyl-1,4-dioxane-2-carboximidamide is C/N=C(\NN)C1COCCO1.
What is the InChIKey of N-amino-N'-methyl-1,4-dioxane-2-carboximidamide?
The InChIKey is HPGAEMKFWOCEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-8-6(9-7)5-4-10-2-3-11-5/h5H,2-4,7H2,1H3,(H,8,9).
What are the key properties of N-amino-N'-methyl-1,4-dioxane-2-carboximidamide?
N-amino-N'-methyl-1,4-dioxane-2-carboximidamide has a molecular weight of 159.19 g/mol, XLogP of -1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyl-1,4-dioxane-2-carboximidamide is sourced from PubChem (CID 62804930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).