3-phenylbutanimidamide;hydrochloride

C10H15ClN2 — CID 69158161

IUPAC3-phenylbutanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CC(C)c1ccccc1
InChIInChI=1S/C10H14N2.ClH/c1-8(7-10(11)12)9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H3,11,12);1H
InChIKeyVRLRFDAGVMHDPS-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.54
Rot. Bonds3

About 3-phenylbutanimidamide;hydrochloride

3-phenylbutanimidamide;hydrochloride (PubChem CID 69158161) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 3-phenylbutanimidamide;hydrochloride.

Molecular Properties

Compound Name3-phenylbutanimidamide;hydrochloride
PubChem CID69158161
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name3-phenylbutanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CC(C)c1ccccc1
InChIInChI=1S/C10H14N2.ClH/c1-8(7-10(11)12)9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H3,11,12);1H
InChIKeyVRLRFDAGVMHDPS-UHFFFAOYSA-N
XLogP2.54
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.54
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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Related Compounds

3-(3-benzoylphenyl)butanimidamide;hydrochloride
CID 141113823
3-(2-bromophenyl)butanimidamide
CID 83693021
3-(2-methylpropylsulfanyl)-3-phenylpropanimidamide
CID 62779114
4-amino-4-imino-2-phenylbutanoic acid
CID 139654605
3-phenylsulfanylbutanimidamide
CID 60915236
3-phenoxybutanimidamide
CID 114995804
3-[2-methylpropyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 55117825
3-(4-methylpentoxy)-3-phenylpropanimidamide
CID 115002951
3-benzylsulfanylbutanimidamide
CID 60915407
3-methylbutanimidamide;hydrochloride
CID 18967932
3-(4-methylpiperazin-1-yl)-3-phenylpropanimidamide
CID 55117254
3-(2-hydroxyethylsulfanyl)-3-phenylpropanimidamide
CID 62779770

Frequently Asked Questions

What is the IUPAC name of 3-phenylbutanimidamide;hydrochloride?
The IUPAC name of 3-phenylbutanimidamide;hydrochloride (CID 69158161) is 3-phenylbutanimidamide;hydrochloride.
What is the SMILES notation for 3-phenylbutanimidamide;hydrochloride?
The canonical SMILES for 3-phenylbutanimidamide;hydrochloride is Cl.[H]/N=C(\N)CC(C)c1ccccc1.
What is the InChIKey of 3-phenylbutanimidamide;hydrochloride?
The InChIKey is VRLRFDAGVMHDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.ClH/c1-8(7-10(11)12)9-5-3-2-4-6-9;/h2-6,8H,7H2,1H3,(H3,11,12);1H.
What are the key properties of 3-phenylbutanimidamide;hydrochloride?
3-phenylbutanimidamide;hydrochloride has a molecular weight of 198.70 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbutanimidamide;hydrochloride is sourced from PubChem (CID 69158161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).