[(Z)-(1-amino-2-methylpropylidene)amino]oxidanium

C4H11N2O+ — CID 172983098

IUPAC[(Z)-(1-amino-2-methylpropylidene)amino]oxidanium
SMILESCC(C)/C(N)=N/[OH2+]
InChIInChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)/p+1
InChIKeyJHRDEHLFNLLCQS-UHFFFAOYSA-O
MW103.14 g/mol
LogP-0.36
Rot. Bonds1

About [(Z)-(1-amino-2-methylpropylidene)amino]oxidanium

[(Z)-(1-amino-2-methylpropylidene)amino]oxidanium (PubChem CID 172983098) has the molecular formula C4H11N2O+ and a molecular weight of 103.14 g/mol. Its IUPAC name is [(Z)-(1-amino-2-methylpropylidene)amino]oxidanium.

Molecular Properties

Compound Name[(Z)-(1-amino-2-methylpropylidene)amino]oxidanium
PubChem CID172983098
Molecular FormulaC4H11N2O+
Molecular Weight103.14 g/mol
Exact Mass103.09
IUPAC Name[(Z)-(1-amino-2-methylpropylidene)amino]oxidanium
SMILESCC(C)/C(N)=N/[OH2+]
InChIInChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)/p+1
InChIKeyJHRDEHLFNLLCQS-UHFFFAOYSA-O
XLogP-0.36
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', '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

N'-Hydroxy-2-methylpropanimidamide
CID 2794833
N'-hydroxypropanimidamide
CID 6521662
(Z)-N'-Hydroxyisobutyrimidamide
CID 9582835
N'-Hydroxycyclopropanecarboximidamide
CID 2794666
N'-hydroxybutanimidamide
CID 9582833
N'-hydroxy-2,2-dimethylpropanimidamide
CID 9582836
N'-Hydroxy-2-methylpropanamidine
CID 5712089
N-Hydroxypropionimidamide
CID 4092053
N-Hydroxycyclopropanecarboximidamide
CID 9582826
N-Hydroxybutyramidine
CID 2794811
n-Hydroxypivalimidamide
CID 2794841
N-Hydroxypropionamidine
CID 6007839

Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-amino-2-methylpropylidene)amino]oxidanium?
The IUPAC name of [(Z)-(1-amino-2-methylpropylidene)amino]oxidanium (CID 172983098) is [(Z)-(1-amino-2-methylpropylidene)amino]oxidanium.
What is the SMILES notation for [(Z)-(1-amino-2-methylpropylidene)amino]oxidanium?
The canonical SMILES for [(Z)-(1-amino-2-methylpropylidene)amino]oxidanium is CC(C)/C(N)=N/[OH2+].
What is the InChIKey of [(Z)-(1-amino-2-methylpropylidene)amino]oxidanium?
The InChIKey is JHRDEHLFNLLCQS-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)/p+1.
What are the key properties of [(Z)-(1-amino-2-methylpropylidene)amino]oxidanium?
[(Z)-(1-amino-2-methylpropylidene)amino]oxidanium has a molecular weight of 103.14 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-amino-2-methylpropylidene)amino]oxidanium is sourced from PubChem (CID 172983098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).