3-(4-methylphenyl)propanimidamide;hydrochloride

C10H15ClN2 — CID 69159205

IUPAC3-(4-methylphenyl)propanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCc1ccc(C)cc1
InChIInChI=1S/C10H14N2.ClH/c1-8-2-4-9(5-3-8)6-7-10(11)12;/h2-5H,6-7H2,1H3,(H3,11,12);1H
InChIKeyJMGVJSCAGDUYDT-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.29
Rot. Bonds3

About 3-(4-methylphenyl)propanimidamide;hydrochloride

3-(4-methylphenyl)propanimidamide;hydrochloride (PubChem CID 69159205) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 3-(4-methylphenyl)propanimidamide;hydrochloride.

Molecular Properties

Compound Name3-(4-methylphenyl)propanimidamide;hydrochloride
PubChem CID69159205
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name3-(4-methylphenyl)propanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)CCc1ccc(C)cc1
InChIInChI=1S/C10H14N2.ClH/c1-8-2-4-9(5-3-8)6-7-10(11)12;/h2-5H,6-7H2,1H3,(H3,11,12);1H
InChIKeyJMGVJSCAGDUYDT-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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

ethane;3-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]propanimidamide
CID 142200342
3-[4-[4-[4-(3-amino-3-iminopropyl)phenoxy]butoxy]phenyl]propanimidamide
CID 67069769
ethane;3-(4-methylphenyl)propanamide
CID 142510251
(4-methylphenyl)methyl carbamimidothioate;hydrochloride
CID 12526770
N'-amino-3-(4-methylphenyl)propanimidamide
CID 62503804
butanediimidamide;dihydrochloride
CID 88614640
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
CID 3685928
3-(1H-indol-6-yl)propanimidamide
CID 173254114
3-[3-bromo-5-(4-tert-butylphenyl)phenyl]propanimidamide
CID 159291191
3-N'-(4-methylphenyl)propanediimidamide
CID 68503143
ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
4-[4-[[4-(4-iminopentyl)phenoxy]methoxy]phenyl]butanimidamide
CID 90128678

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)propanimidamide;hydrochloride?
The IUPAC name of 3-(4-methylphenyl)propanimidamide;hydrochloride (CID 69159205) is 3-(4-methylphenyl)propanimidamide;hydrochloride.
What is the SMILES notation for 3-(4-methylphenyl)propanimidamide;hydrochloride?
The canonical SMILES for 3-(4-methylphenyl)propanimidamide;hydrochloride is Cl.[H]/N=C(\N)CCc1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenyl)propanimidamide;hydrochloride?
The InChIKey is JMGVJSCAGDUYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.ClH/c1-8-2-4-9(5-3-8)6-7-10(11)12;/h2-5H,6-7H2,1H3,(H3,11,12);1H.
What are the key properties of 3-(4-methylphenyl)propanimidamide;hydrochloride?
3-(4-methylphenyl)propanimidamide;hydrochloride has a molecular weight of 198.70 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)propanimidamide;hydrochloride is sourced from PubChem (CID 69159205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).