4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride

C17H22ClN3 — CID 17170

IUPAC4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride
SMILESCl.[H]N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H
InChIKeyKSCQDDRPFHTIRL-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.66
Rot. Bonds4

About 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride

4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride (PubChem CID 17170) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride.

Molecular Properties

Compound Name4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride
PubChem CID17170
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride
SMILESCl.[H]N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H
InChIKeyKSCQDDRPFHTIRL-UHFFFAOYSA-N
XLogP3.66
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.66
H-Bond Donors ≤ 51
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 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride?
The IUPAC name of 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride (CID 17170) is 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride.
What is the SMILES notation for 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride?
The canonical SMILES for 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride is Cl.[H]N=C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride?
The InChIKey is KSCQDDRPFHTIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H.
What are the key properties of 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride?
4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride has a molecular weight of 303.84 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride is sourced from PubChem (CID 17170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).