4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline

C14H21N3S — CID 146319446

IUPAC4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline
SMILESC=N/C(=C\SCN)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C14H21N3S/c1-4-17(5-2)13-8-6-12(7-9-13)14(16-3)10-18-11-15/h6-10H,3-5,11,15H2,1-2H3/b14-10-
InChIKeyAGZQRUMBJITHTG-UVTDQMKNSA-N
MW263.41 g/mol
LogP3.18
Rot. Bonds7

About 4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline

4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline (PubChem CID 146319446) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline
PubChem CID146319446
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline
SMILESC=N/C(=C\SCN)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C14H21N3S/c1-4-17(5-2)13-8-6-12(7-9-13)14(16-3)10-18-11-15/h6-10H,3-5,11,15H2,1-2H3/b14-10-
InChIKeyAGZQRUMBJITHTG-UVTDQMKNSA-N
XLogP3.18
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline?
The IUPAC name of 4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline (CID 146319446) is 4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline is C=N/C(=C\SCN)c1ccc(N(CC)CC)cc1.
What is the InChIKey of 4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline?
The InChIKey is AGZQRUMBJITHTG-UVTDQMKNSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-17(5-2)13-8-6-12(7-9-13)14(16-3)10-18-11-15/h6-10H,3-5,11,15H2,1-2H3/b14-10-.
What are the key properties of 4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline?
4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline has a molecular weight of 263.41 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(aminomethylsulfanyl)-1-(methylideneamino)ethenyl]-N,N-diethylaniline is sourced from PubChem (CID 146319446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).