ethane;3-methylazetidine-1-carboximidamide

C7H17N3 — CID 144805312

IUPACethane;3-methylazetidine-1-carboximidamide
SMILESCC.[H]/N=C(\N)N1CC(C)C1
InChIInChI=1S/C5H11N3.C2H6/c1-4-2-8(3-4)5(6)7;1-2/h4H,2-3H2,1H3,(H3,6,7);1-2H3
InChIKeyVIFDMVYRLBBOJX-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.86
Rot. Bonds

About ethane;3-methylazetidine-1-carboximidamide

ethane;3-methylazetidine-1-carboximidamide (PubChem CID 144805312) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is ethane;3-methylazetidine-1-carboximidamide.

Molecular Properties

Compound Nameethane;3-methylazetidine-1-carboximidamide
PubChem CID144805312
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Nameethane;3-methylazetidine-1-carboximidamide
SMILESCC.[H]/N=C(\N)N1CC(C)C1
InChIInChI=1S/C5H11N3.C2H6/c1-4-2-8(3-4)5(6)7;1-2/h4H,2-3H2,1H3,(H3,6,7);1-2H3
InChIKeyVIFDMVYRLBBOJX-UHFFFAOYSA-N
XLogP0.86
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.86
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'}

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methylazetidine-1-carboximidamide?
The IUPAC name of ethane;3-methylazetidine-1-carboximidamide (CID 144805312) is ethane;3-methylazetidine-1-carboximidamide.
What is the SMILES notation for ethane;3-methylazetidine-1-carboximidamide?
The canonical SMILES for ethane;3-methylazetidine-1-carboximidamide is CC.[H]/N=C(\N)N1CC(C)C1.
What is the InChIKey of ethane;3-methylazetidine-1-carboximidamide?
The InChIKey is VIFDMVYRLBBOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3.C2H6/c1-4-2-8(3-4)5(6)7;1-2/h4H,2-3H2,1H3,(H3,6,7);1-2H3.
What are the key properties of ethane;3-methylazetidine-1-carboximidamide?
ethane;3-methylazetidine-1-carboximidamide has a molecular weight of 143.23 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylazetidine-1-carboximidamide is sourced from PubChem (CID 144805312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).