N,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline

C13H18N2 — CID 142916873

IUPACN,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline
SMILESC=NC(=C)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C13H18N2/c1-5-15(6-2)13-9-7-12(8-10-13)11(3)14-4/h7-10H,3-6H2,1-2H3
InChIKeyWPYAMZHWRBAZRY-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.20
Rot. Bonds5

About N,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline

N,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline (PubChem CID 142916873) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline
PubChem CID142916873
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline
SMILESC=NC(=C)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C13H18N2/c1-5-15(6-2)13-9-7-12(8-10-13)11(3)14-4/h7-10H,3-6H2,1-2H3
InChIKeyWPYAMZHWRBAZRY-UHFFFAOYSA-N
XLogP3.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminoethenyl)-N,N-diethylaniline
CID 146581099
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-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline
CID 146319446
N,N-diethyl-4-fluoroaniline
CID 592416
2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993
N,N-diethyl-4-[[4-(methylideneamino)phenyl]diazenyl]aniline
CID 140607759
4-(diethylamino)-N,N-dimethylbenzenecarbothioamide
CID 2832387
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline
CID 121386942
N-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline
CID 59476621
1-[4-(diethylamino)phenyl]but-2-en-1-one
CID 162367045

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline?
The IUPAC name of N,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline (CID 142916873) is N,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline?
The canonical SMILES for N,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline is C=NC(=C)c1ccc(N(CC)CC)cc1.
What is the InChIKey of N,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline?
The InChIKey is WPYAMZHWRBAZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-15(6-2)13-9-7-12(8-10-13)11(3)14-4/h7-10H,3-6H2,1-2H3.
What are the key properties of N,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline?
N,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline has a molecular weight of 202.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[1-(methylideneamino)ethenyl]aniline is sourced from PubChem (CID 142916873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).