azetidine-1-carboximidamide;ethane

C6H15N3 — CID 91125059

IUPACazetidine-1-carboximidamide;ethane
SMILESCC.[H]/N=C(\N)N1CCC1
InChIInChI=1S/C4H9N3.C2H6/c5-4(6)7-2-1-3-7;1-2/h1-3H2,(H3,5,6);1-2H3
InChIKeyZFHJYEWMPXGVPN-UHFFFAOYSA-N
MW129.21 g/mol
LogP0.61
Rot. Bonds

About azetidine-1-carboximidamide;ethane

azetidine-1-carboximidamide;ethane (PubChem CID 91125059) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is azetidine-1-carboximidamide;ethane.

Molecular Properties

Compound Nameazetidine-1-carboximidamide;ethane
PubChem CID91125059
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Nameazetidine-1-carboximidamide;ethane
SMILESCC.[H]/N=C(\N)N1CCC1
InChIInChI=1S/C4H9N3.C2H6/c5-4(6)7-2-1-3-7;1-2/h1-3H2,(H3,5,6);1-2H3
InChIKeyZFHJYEWMPXGVPN-UHFFFAOYSA-N
XLogP0.61
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze azetidine-1-carboximidamide;ethane 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 azetidine-1-carboximidamide;ethane?
The IUPAC name of azetidine-1-carboximidamide;ethane (CID 91125059) is azetidine-1-carboximidamide;ethane.
What is the SMILES notation for azetidine-1-carboximidamide;ethane?
The canonical SMILES for azetidine-1-carboximidamide;ethane is CC.[H]/N=C(\N)N1CCC1.
What is the InChIKey of azetidine-1-carboximidamide;ethane?
The InChIKey is ZFHJYEWMPXGVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3.C2H6/c5-4(6)7-2-1-3-7;1-2/h1-3H2,(H3,5,6);1-2H3.
What are the key properties of azetidine-1-carboximidamide;ethane?
azetidine-1-carboximidamide;ethane has a molecular weight of 129.21 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-1-carboximidamide;ethane is sourced from PubChem (CID 91125059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).