N'-(methylamino)carbamimidate

C2H6N3O- — CID 59074023

IUPACN'-(methylamino)carbamimidate
SMILESCNN=C(N)[O-]
InChIInChI=1S/C2H7N3O/c1-4-5-2(3)6/h4H,1H3,(H3,3,5,6)/p-1
InChIKeyRKNBYEDXBCUNQB-UHFFFAOYSA-M
MW88.09 g/mol
LogP-2.20
Rot. Bonds1

About N'-(methylamino)carbamimidate

N'-(methylamino)carbamimidate (PubChem CID 59074023) has the molecular formula C2H6N3O- and a molecular weight of 88.09 g/mol. Its IUPAC name is N'-(methylamino)carbamimidate.

Molecular Properties

Compound NameN'-(methylamino)carbamimidate
PubChem CID59074023
Molecular FormulaC2H6N3O-
Molecular Weight88.09 g/mol
Exact Mass88.05
IUPAC NameN'-(methylamino)carbamimidate
SMILESCNN=C(N)[O-]
InChIInChI=1S/C2H7N3O/c1-4-5-2(3)6/h4H,1H3,(H3,3,5,6)/p-1
InChIKeyRKNBYEDXBCUNQB-UHFFFAOYSA-M
XLogP-2.20
TPSA73.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.09
LogP ≤ 5-2.20
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-(methylhydrazinylidene)propanamide
CID 55290878
N-[3-(methylhydrazinylidene)butan-2-ylideneamino]methanamine
CID 6850505
N-methoxypropan-2-imine;N-(propan-2-ylideneamino)methanamine
CID 158424207
1-N'-methyl-3-N'-(methylamino)propanediimidamide
CID 163951189
ethane;methyl (1Z)-N-methylethanehydrazonate
CID 167502195
methyl (1Z)-N,2-dimethylpropanehydrazonate
CID 139517370
azane;2-hydroxy-N'-(methylamino)butanimidamide
CID 172928382
4-methoxy-N'-(methylamino)benzenecarboximidamide
CID 88906808
2-[4-(methylhydrazinylidene)pentan-2-ylideneamino]guanidine
CID 6713472
N-(diethoxymethylideneamino)methanamine
CID 23269000
N'-(methylamino)benzenecarboximidamide;hydroiodide
CID 12566592
6-methyl-N'-(methylamino)cyclodecane-1-carboximidamide
CID 172957943

Frequently Asked Questions

What is the IUPAC name of N'-(methylamino)carbamimidate?
The IUPAC name of N'-(methylamino)carbamimidate (CID 59074023) is N'-(methylamino)carbamimidate.
What is the SMILES notation for N'-(methylamino)carbamimidate?
The canonical SMILES for N'-(methylamino)carbamimidate is CNN=C(N)[O-].
What is the InChIKey of N'-(methylamino)carbamimidate?
The InChIKey is RKNBYEDXBCUNQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7N3O/c1-4-5-2(3)6/h4H,1H3,(H3,3,5,6)/p-1.
What are the key properties of N'-(methylamino)carbamimidate?
N'-(methylamino)carbamimidate has a molecular weight of 88.09 g/mol, XLogP of -2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(methylamino)carbamimidate is sourced from PubChem (CID 59074023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).