4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline

C16H19N3 — CID 89271109

IUPAC4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline
SMILES[H]/N=C(\c1ccc(NC)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H19N3/c1-18-14-8-4-12(5-9-14)16(17)13-6-10-15(11-7-13)19(2)3/h4-11,17-18H,1-3H3/b17-16+
InChIKeyFDMFVZWQBCGUHI-WUKNDPDISA-N
MW253.35 g/mol
LogP3.21
Rot. Bonds4

About 4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline

4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline (PubChem CID 89271109) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline.

Molecular Properties

Compound Name4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline
PubChem CID89271109
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline
SMILES[H]/N=C(\c1ccc(NC)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H19N3/c1-18-14-8-4-12(5-9-14)16(17)13-6-10-15(11-7-13)19(2)3/h4-11,17-18H,1-3H3/b17-16+
InChIKeyFDMFVZWQBCGUHI-WUKNDPDISA-N
XLogP3.21
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[4-(methylamino)phenyl]hydroxylamine
CID 146340340
1-N,4-N-dimethyl-4-N-[4-(methylamino)phenyl]benzene-1,4-diamine
CID 21331414
N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline
CID 21400968
1-[4-[4-(dimethylamino)anilino]phenyl]ethanone
CID 82536662
2-[4-(methylamino)phenyl]ethanimidamide
CID 161445184
N-[3,4-bis(methylamino)phenyl]-4-(dimethylamino)benzamide
CID 123507745
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-[4-(methylamino)phenyl]penta-1,4-dien-3-one;methane
CID 165078297
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
CID 72743774
1-N-chloro-4-N,4-N-dimethylbenzene-1,4-diamine
CID 89056981
(2E)-2-[[4-(dimethylamino)phenyl]-hydroxymethylidene]-3-iminobutanoic acid
CID 143383401
[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
CID 11738595

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline?
The IUPAC name of 4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline (CID 89271109) is 4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline.
What is the SMILES notation for 4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline?
The canonical SMILES for 4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline is [H]/N=C(\c1ccc(NC)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline?
The InChIKey is FDMFVZWQBCGUHI-WUKNDPDISA-N. The full InChI is InChI=1S/C16H19N3/c1-18-14-8-4-12(5-9-14)16(17)13-6-10-15(11-7-13)19(2)3/h4-11,17-18H,1-3H3/b17-16+.
What are the key properties of 4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline?
4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline has a molecular weight of 253.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)benzenecarboximidoyl]-N-methylaniline is sourced from PubChem (CID 89271109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).