N-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline

C18H24N4O — CID 144672422

IUPACN-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline
SMILESCN(C=O)/N=C/c1ccc(N)cc1.CNc1c(C)cccc1C
InChIInChI=1S/C9H11N3O.C9H13N/c1-12(7-13)11-6-8-2-4-9(10)5-3-8;1-7-5-4-6-8(2)9(7)10-3/h2-7H,10H2,1H3;4-6,10H,1-3H3/b11-6+;
InChIKeyNPEFPKPISREUGN-ICSBZGNSSA-N
MW312.42 g/mol
LogP3.04
Rot. Bonds4

About N-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline

N-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline (PubChem CID 144672422) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline.

Molecular Properties

Compound NameN-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline
PubChem CID144672422
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline
SMILESCN(C=O)/N=C/c1ccc(N)cc1.CNc1c(C)cccc1C
InChIInChI=1S/C9H11N3O.C9H13N/c1-12(7-13)11-6-8-2-4-9(10)5-3-8;1-7-5-4-6-8(2)9(7)10-3/h2-7H,10H2,1H3;4-6,10H,1-3H3/b11-6+;
InChIKeyNPEFPKPISREUGN-ICSBZGNSSA-N
XLogP3.04
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline?
The IUPAC name of N-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline (CID 144672422) is N-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline.
What is the SMILES notation for N-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline?
The canonical SMILES for N-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline is CN(C=O)/N=C/c1ccc(N)cc1.CNc1c(C)cccc1C.
What is the InChIKey of N-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline?
The InChIKey is NPEFPKPISREUGN-ICSBZGNSSA-N. The full InChI is InChI=1S/C9H11N3O.C9H13N/c1-12(7-13)11-6-8-2-4-9(10)5-3-8;1-7-5-4-6-8(2)9(7)10-3/h2-7H,10H2,1H3;4-6,10H,1-3H3/b11-6+;.
What are the key properties of N-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline?
N-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline has a molecular weight of 312.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-aminophenyl)methylideneamino]-N-methylformamide;N,2,6-trimethylaniline is sourced from PubChem (CID 144672422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).