3-phenylpropanimidamide;hydrochloride

C9H13ClN2 — CID 12621988

IUPAC3-phenylpropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCc1ccccc1
InChIInChI=1S/C9H12N2.ClH/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H3,10,11);1H
InChIKeyWNSJACFIQOWCHL-UHFFFAOYSA-N
MW184.67 g/mol
LogP1.98
Rot. Bonds3

About 3-phenylpropanimidamide;hydrochloride

3-phenylpropanimidamide;hydrochloride (PubChem CID 12621988) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 3-phenylpropanimidamide;hydrochloride.

Molecular Properties

Compound Name3-phenylpropanimidamide;hydrochloride
PubChem CID12621988
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name3-phenylpropanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCc1ccccc1
InChIInChI=1S/C9H12N2.ClH/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H3,10,11);1H
InChIKeyWNSJACFIQOWCHL-UHFFFAOYSA-N
XLogP1.98
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 51.98
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 3-phenylpropanimidamide;hydrochloride?
The IUPAC name of 3-phenylpropanimidamide;hydrochloride (CID 12621988) is 3-phenylpropanimidamide;hydrochloride.
What is the SMILES notation for 3-phenylpropanimidamide;hydrochloride?
The canonical SMILES for 3-phenylpropanimidamide;hydrochloride is Cl.[H]/N=C(\N)CCc1ccccc1.
What is the InChIKey of 3-phenylpropanimidamide;hydrochloride?
The InChIKey is WNSJACFIQOWCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.ClH/c10-9(11)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H3,10,11);1H.
What are the key properties of 3-phenylpropanimidamide;hydrochloride?
3-phenylpropanimidamide;hydrochloride has a molecular weight of 184.67 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropanimidamide;hydrochloride is sourced from PubChem (CID 12621988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).