2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline

C17H21N3 — CID 87624044

IUPAC2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline
SMILES[H]N=C(c1ccccc1N(C)C)c1ccccc1N(C)C
InChIInChI=1S/C17H21N3/c1-19(2)15-11-7-5-9-13(15)17(18)14-10-6-8-12-16(14)20(3)4/h5-12,18H,1-4H3
InChIKeyZJIQQXSNBLXRCT-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.23
Rot. Bonds4

About 2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline

2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline (PubChem CID 87624044) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline
PubChem CID87624044
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline
SMILES[H]N=C(c1ccccc1N(C)C)c1ccccc1N(C)C
InChIInChI=1S/C17H21N3/c1-19(2)15-11-7-5-9-13(15)17(18)14-10-6-8-12-16(14)20(3)4/h5-12,18H,1-4H3
InChIKeyZJIQQXSNBLXRCT-UHFFFAOYSA-N
XLogP3.23
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.23
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 2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline?
The IUPAC name of 2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline (CID 87624044) is 2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline is [H]N=C(c1ccccc1N(C)C)c1ccccc1N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline?
The InChIKey is ZJIQQXSNBLXRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-19(2)15-11-7-5-9-13(15)17(18)14-10-6-8-12-16(14)20(3)4/h5-12,18H,1-4H3.
What are the key properties of 2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline?
2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline has a molecular weight of 267.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline is sourced from PubChem (CID 87624044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).