N'-(2-methylphenyl)propanimidamide;dihydrochloride

C10H16Cl2N2 — CID 175785501

IUPACN'-(2-methylphenyl)propanimidamide;dihydrochloride
SMILESCC/C(N)=N\c1ccccc1C.Cl.Cl
InChIInChI=1S/C10H14N2.2ClH/c1-3-10(11)12-9-7-5-4-6-8(9)2;;/h4-7H,3H2,1-2H3,(H2,11,12);2*1H
InChIKeyLKERFICIZHQNSS-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.24
Rot. Bonds2

About N'-(2-methylphenyl)propanimidamide;dihydrochloride

N'-(2-methylphenyl)propanimidamide;dihydrochloride (PubChem CID 175785501) has the molecular formula C10H16Cl2N2 and a molecular weight of 235.16 g/mol. Its IUPAC name is N'-(2-methylphenyl)propanimidamide;dihydrochloride.

Molecular Properties

Compound NameN'-(2-methylphenyl)propanimidamide;dihydrochloride
PubChem CID175785501
Molecular FormulaC10H16Cl2N2
Molecular Weight235.16 g/mol
Exact Mass234.07
IUPAC NameN'-(2-methylphenyl)propanimidamide;dihydrochloride
SMILESCC/C(N)=N\c1ccccc1C.Cl.Cl
InChIInChI=1S/C10H14N2.2ClH/c1-3-10(11)12-9-7-5-4-6-8(9)2;;/h4-7H,3H2,1-2H3,(H2,11,12);2*1H
InChIKeyLKERFICIZHQNSS-UHFFFAOYSA-N
XLogP3.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.24
H-Bond Donors ≤ 51
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;N-(2-methylphenyl)butan-2-imine
CID 142132579
N'-(2-propan-2-ylphenyl)propanimidamide
CID 63174482
N'-(2-propylphenyl)propanimidamide
CID 63177634
N'-(2-methylphenyl)cyclopropanecarboximidamide
CID 63178826
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155
2-chloro-N'-[2-(2-methylphenyl)phenyl]ethanimidamide
CID 169367126
phenyl N'-(2-methylphenyl)carbamimidate
CID 142151989
2-amino-N'-(2-methylphenyl)benzenecarboximidamide
CID 15836404
N'-quinolin-8-ylpropanimidamide
CID 63174469
N'-quinolin-5-ylpropanimidamide
CID 63174316
N'-(4-phenylphenyl)propanimidamide
CID 63178783
3-(2,4-difluorophenyl)-N'-(2-methylphenyl)-3-oxopropanimidamide
CID 58608644

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)propanimidamide;dihydrochloride?
The IUPAC name of N'-(2-methylphenyl)propanimidamide;dihydrochloride (CID 175785501) is N'-(2-methylphenyl)propanimidamide;dihydrochloride.
What is the SMILES notation for N'-(2-methylphenyl)propanimidamide;dihydrochloride?
The canonical SMILES for N'-(2-methylphenyl)propanimidamide;dihydrochloride is CC/C(N)=N\c1ccccc1C.Cl.Cl.
What is the InChIKey of N'-(2-methylphenyl)propanimidamide;dihydrochloride?
The InChIKey is LKERFICIZHQNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.2ClH/c1-3-10(11)12-9-7-5-4-6-8(9)2;;/h4-7H,3H2,1-2H3,(H2,11,12);2*1H.
What are the key properties of N'-(2-methylphenyl)propanimidamide;dihydrochloride?
N'-(2-methylphenyl)propanimidamide;dihydrochloride has a molecular weight of 235.16 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylphenyl)propanimidamide;dihydrochloride is sourced from PubChem (CID 175785501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).