N,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride

C17H22ClN3 — CID 6451362

IUPACN,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride
SMILESCl.[H]N=C(c1ccc(NC)c(C)c1)c1ccc(NC)c(C)c1
InChIInChI=1S/C17H21N3.ClH/c1-11-9-13(5-7-15(11)19-3)17(18)14-6-8-16(20-4)12(2)10-14;/h5-10,18-20H,1-4H3;1H
InChIKeyDTJAPYHTDACJJX-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.22
Rot. Bonds4

About N,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride

N,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride (PubChem CID 6451362) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride
PubChem CID6451362
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride
SMILESCl.[H]N=C(c1ccc(NC)c(C)c1)c1ccc(NC)c(C)c1
InChIInChI=1S/C17H21N3.ClH/c1-11-9-13(5-7-15(11)19-3)17(18)14-6-8-16(20-4)12(2)10-14;/h5-10,18-20H,1-4H3;1H
InChIKeyDTJAPYHTDACJJX-UHFFFAOYSA-N
XLogP4.22
TPSA47.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride?
The IUPAC name of N,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride (CID 6451362) is N,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride.
What is the SMILES notation for N,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride?
The canonical SMILES for N,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride is Cl.[H]N=C(c1ccc(NC)c(C)c1)c1ccc(NC)c(C)c1.
What is the InChIKey of N,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride?
The InChIKey is DTJAPYHTDACJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3.ClH/c1-11-9-13(5-7-15(11)19-3)17(18)14-6-8-16(20-4)12(2)10-14;/h5-10,18-20H,1-4H3;1H.
What are the key properties of N,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride?
N,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride has a molecular weight of 303.84 g/mol, XLogP of 4.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[3-methyl-4-(methylamino)benzenecarboximidoyl]aniline;hydrochloride is sourced from PubChem (CID 6451362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).