3-chloropropanimidamide

C3H7ClN2 — CID 4174774

IUPAC3-chloropropanimidamide
SMILES[H]/N=C(/N)CCCl
InChIInChI=1S/C3H7ClN2/c4-2-1-3(5)6/h1-2H2,(H3,5,6)
InChIKeyZHBRTGUYTVCERJ-UHFFFAOYSA-N
MW106.56 g/mol
LogP0.55
Rot. Bonds2

About 3-chloropropanimidamide

3-chloropropanimidamide (PubChem CID 4174774) has the molecular formula C3H7ClN2 and a molecular weight of 106.56 g/mol. Its IUPAC name is 3-chloropropanimidamide.

Molecular Properties

Compound Name3-chloropropanimidamide
PubChem CID4174774
Molecular FormulaC3H7ClN2
Molecular Weight106.56 g/mol
Exact Mass106.03
IUPAC Name3-chloropropanimidamide
SMILES[H]/N=C(/N)CCCl
InChIInChI=1S/C3H7ClN2/c4-2-1-3(5)6/h1-2H2,(H3,5,6)
InChIKeyZHBRTGUYTVCERJ-UHFFFAOYSA-N
XLogP0.55
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.56
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 3-chloropropanimidamide?
The IUPAC name of 3-chloropropanimidamide (CID 4174774) is 3-chloropropanimidamide.
What is the SMILES notation for 3-chloropropanimidamide?
The canonical SMILES for 3-chloropropanimidamide is [H]/N=C(/N)CCCl.
What is the InChIKey of 3-chloropropanimidamide?
The InChIKey is ZHBRTGUYTVCERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClN2/c4-2-1-3(5)6/h1-2H2,(H3,5,6).
What are the key properties of 3-chloropropanimidamide?
3-chloropropanimidamide has a molecular weight of 106.56 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropanimidamide is sourced from PubChem (CID 4174774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).