N'-aminoazetidine-1-carboximidamide

C4H10N4 — CID 77052778

IUPACN'-aminoazetidine-1-carboximidamide
SMILESNN=C(N)N1CCC1
InChIInChI=1S/C4H10N4/c5-4(7-6)8-2-1-3-8/h1-3,6H2,(H2,5,7)
InChIKeyPMTBSCDSNOYEEF-UHFFFAOYSA-N
MW114.15 g/mol
LogP-1.12
Rot. Bonds

About N'-aminoazetidine-1-carboximidamide

N'-aminoazetidine-1-carboximidamide (PubChem CID 77052778) has the molecular formula C4H10N4 and a molecular weight of 114.15 g/mol. Its IUPAC name is N'-aminoazetidine-1-carboximidamide.

Molecular Properties

Compound NameN'-aminoazetidine-1-carboximidamide
PubChem CID77052778
Molecular FormulaC4H10N4
Molecular Weight114.15 g/mol
Exact Mass114.09
IUPAC NameN'-aminoazetidine-1-carboximidamide
SMILESNN=C(N)N1CCC1
InChIInChI=1S/C4H10N4/c5-4(7-6)8-2-1-3-8/h1-3,6H2,(H2,5,7)
InChIKeyPMTBSCDSNOYEEF-UHFFFAOYSA-N
XLogP-1.12
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze N'-aminoazetidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-aminoazetidine-1-carboximidamide?
The IUPAC name of N'-aminoazetidine-1-carboximidamide (CID 77052778) is N'-aminoazetidine-1-carboximidamide.
What is the SMILES notation for N'-aminoazetidine-1-carboximidamide?
The canonical SMILES for N'-aminoazetidine-1-carboximidamide is NN=C(N)N1CCC1.
What is the InChIKey of N'-aminoazetidine-1-carboximidamide?
The InChIKey is PMTBSCDSNOYEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4/c5-4(7-6)8-2-1-3-8/h1-3,6H2,(H2,5,7).
What are the key properties of N'-aminoazetidine-1-carboximidamide?
N'-aminoazetidine-1-carboximidamide has a molecular weight of 114.15 g/mol, XLogP of -1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-aminoazetidine-1-carboximidamide is sourced from PubChem (CID 77052778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).