N-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine

C3H9N4O2- — CID 163756601

IUPACN-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine
SMILESC=NN(C)N([O-])ONC
InChIInChI=1S/C3H9N4O2/c1-4-6(3)7(8)9-5-2/h5H,1H2,2-3H3/q-1
InChIKeyBHLZDAKHARMERS-UHFFFAOYSA-N
MW133.13 g/mol
LogP-0.69
Rot. Bonds4

About N-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine

N-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine (PubChem CID 163756601) has the molecular formula C3H9N4O2- and a molecular weight of 133.13 g/mol. Its IUPAC name is N-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine.

Molecular Properties

Compound NameN-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine
PubChem CID163756601
Molecular FormulaC3H9N4O2-
Molecular Weight133.13 g/mol
Exact Mass133.07
IUPAC NameN-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine
SMILESC=NN(C)N([O-])ONC
InChIInChI=1S/C3H9N4O2/c1-4-6(3)7(8)9-5-2/h5H,1H2,2-3H3/q-1
InChIKeyBHLZDAKHARMERS-UHFFFAOYSA-N
XLogP-0.69
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.13
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[methyl(oxido)amino]oxymethanamine
CID 163663501
[[methoxy(oxido)amino]-(methylideneamino)amino]azanide
CID 163558037
[[methoxy(oxido)azaniumyl]-(methylideneamino)amino]methane
CID 163823086
1-[(methylideneamino)-oxidoamino]propan-2-one
CID 163707882
1-fluoro-N-methyl-N-(methylideneamino)ethanamine
CID 167186063
[ethenyl(methyl)amino]-[(2-methylpropan-2-yl)oxy]methanol
CID 90291442
(1Z,4E)-1-N,1-N,2-trimethyl-5-(methylaminooxy)-1-(methylideneamino)hexa-1,4-diene-1,3-diamine
CID 90452911
N,N-dimethylmethanamine;N-methylmethanamine
CID 22481130
methyl (Z)-2-[methyl-(methylideneamino)amino]but-2-enoate
CID 177367511
O-[[methyl(oxido)amino]-oxidoamino]hydroxylamine
CID 163576945
(E,4Z)-N-methyl-4-[(E)-1-(methylamino)prop-1-enyl]imino-N-(methylideneamino)but-2-en-2-amine
CID 143715745
(Z)-3-imino-N,N-dimethyl-5-(methylaminooxy)-1-(methylideneamino)hex-1-en-1-amine
CID 118973161

Frequently Asked Questions

What is the IUPAC name of N-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine?
The IUPAC name of N-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine (CID 163756601) is N-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine.
What is the SMILES notation for N-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine?
The canonical SMILES for N-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine is C=NN(C)N([O-])ONC.
What is the InChIKey of N-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine?
The InChIKey is BHLZDAKHARMERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N4O2/c1-4-6(3)7(8)9-5-2/h5H,1H2,2-3H3/q-1.
What are the key properties of N-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine?
N-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine has a molecular weight of 133.13 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[methyl-(methylideneamino)amino]-oxidoamino]oxymethanamine is sourced from PubChem (CID 163756601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).