4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine

C13H21N3 — CID 143569035

IUPAC4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine
SMILESC/C=N/N(C)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C13H21N3/c1-5-14-15(4)12-8-10-13(11-9-12)16(6-2)7-3/h5,8-11H,6-7H2,1-4H3/b14-5+
InChIKeyULBIIFFOFPAMPL-LHHJGKSTSA-N
MW219.33 g/mol
LogP2.97
Rot. Bonds5

About 4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine

4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine (PubChem CID 143569035) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine
PubChem CID143569035
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine
SMILESC/C=N/N(C)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C13H21N3/c1-5-14-15(4)12-8-10-13(11-9-12)16(6-2)7-3/h5,8-11H,6-7H2,1-4H3/b14-5+
InChIKeyULBIIFFOFPAMPL-LHHJGKSTSA-N
XLogP2.97
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
CID 54333940
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-N,4-N-diethyl-1-N-methyl-1-N-[(Z)-[(E)-2-[2-(methylamino)phenyl]but-2-enylidene]amino]benzene-1,4-diamine
CID 143569061
5-(diethylamino)-2-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
CID 135621779
4-N,4-N-diethyl-1-N-methyl-1-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]benzene-1,4-diamine
CID 66700835
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
4-(diethylamino)benzenethiol
CID 2758241
N,N-diethyl-4-fluoroaniline
CID 592416
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
3-chloro-N,N-diethyl-4-[[(4-methoxyphenyl)-methylhydrazinylidene]methyl]aniline
CID 54055519
N,N-diethylaniline
CID 7061

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine (CID 143569035) is 4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine is C/C=N/N(C)c1ccc(N(CC)CC)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine?
The InChIKey is ULBIIFFOFPAMPL-LHHJGKSTSA-N. The full InChI is InChI=1S/C13H21N3/c1-5-14-15(4)12-8-10-13(11-9-12)16(6-2)7-3/h5,8-11H,6-7H2,1-4H3/b14-5+.
What are the key properties of 4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine?
4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine has a molecular weight of 219.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-[(E)-ethylideneamino]-1-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 143569035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).