(1-amino-2-methylpropylidene)-hydroxyazanium

C4H11N2O+ — CID 6346753

IUPAC(1-amino-2-methylpropylidene)-hydroxyazanium
SMILESCC(C)C(N)=[NH+]O
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-1.53
Rot. Bonds1

About (1-amino-2-methylpropylidene)-hydroxyazanium

(1-amino-2-methylpropylidene)-hydroxyazanium (PubChem CID 6346753) has the molecular formula C4H11N2O+ and a molecular weight of 103.14 g/mol. Its IUPAC name is (1-amino-2-methylpropylidene)-hydroxyazanium.

Molecular Properties

Compound Name(1-amino-2-methylpropylidene)-hydroxyazanium
PubChem CID6346753
Molecular FormulaC4H11N2O+
Molecular Weight103.14 g/mol
Exact Mass103.09
IUPAC Name(1-amino-2-methylpropylidene)-hydroxyazanium
SMILESCC(C)C(N)=[NH+]O
InChIInChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)/p+1
InChIKeyJHRDEHLFNLLCQS-UHFFFAOYSA-O
XLogP-1.53
TPSA60.22 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of (1-amino-2-methylpropylidene)-hydroxyazanium?
The IUPAC name of (1-amino-2-methylpropylidene)-hydroxyazanium (CID 6346753) is (1-amino-2-methylpropylidene)-hydroxyazanium.
What is the SMILES notation for (1-amino-2-methylpropylidene)-hydroxyazanium?
The canonical SMILES for (1-amino-2-methylpropylidene)-hydroxyazanium is CC(C)C(N)=[NH+]O.
What is the InChIKey of (1-amino-2-methylpropylidene)-hydroxyazanium?
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 (1-amino-2-methylpropylidene)-hydroxyazanium?
(1-amino-2-methylpropylidene)-hydroxyazanium has a molecular weight of 103.14 g/mol, XLogP of -1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methylpropylidene)-hydroxyazanium is sourced from PubChem (CID 6346753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).