(Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine

C13H18N2S — CID 143726609

IUPAC(Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine
SMILESC=N/C(=C(/N)SCC(C)C)c1ccccc1
InChIInChI=1S/C13H18N2S/c1-10(2)9-16-13(14)12(15-3)11-7-5-4-6-8-11/h4-8,10H,3,9,14H2,1-2H3/b13-12-
InChIKeyJWAWHVKTASBZDZ-SEYXRHQNSA-N
MW234.37 g/mol
LogP3.36
Rot. Bonds5

About (Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine

(Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine (PubChem CID 143726609) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is (Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine.

Molecular Properties

Compound Name(Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine
PubChem CID143726609
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Name(Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine
SMILESC=N/C(=C(/N)SCC(C)C)c1ccccc1
InChIInChI=1S/C13H18N2S/c1-10(2)9-16-13(14)12(15-3)11-7-5-4-6-8-11/h4-8,10H,3,9,14H2,1-2H3/b13-12-
InChIKeyJWAWHVKTASBZDZ-SEYXRHQNSA-N
XLogP3.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide
CID 145436814
(Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane
CID 144690757
2-methylpropyl N'-methylcarbamimidothioate
CID 126994362
2-aminobutyl N-hydroxybenzenecarboximidothioate
CID 88836511
N-(4-hydroxybutyl)-N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]-N-propan-2-ylethanimidamide
CID 134217388
N-(3-methylbutyl)-1,1-diphenylmethanimine
CID 11054109
N'-butan-2-ylbenzenecarboximidamide
CID 63174298
N'-hydroxy-3-(2-methylpropylsulfanyl)-3-phenylpropanimidamide
CID 55117637
2-(methylideneamino)propyl benzoate
CID 175865411
[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]benzene
CID 134923204
3-(2-methylpropylsulfanyl)-3-phenylpropanimidamide
CID 62779114
S-(3-methylbutyl) benzenecarbothioate
CID 23432719

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine?
The IUPAC name of (Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine (CID 143726609) is (Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine.
What is the SMILES notation for (Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine?
The canonical SMILES for (Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine is C=N/C(=C(/N)SCC(C)C)c1ccccc1.
What is the InChIKey of (Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine?
The InChIKey is JWAWHVKTASBZDZ-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H18N2S/c1-10(2)9-16-13(14)12(15-3)11-7-5-4-6-8-11/h4-8,10H,3,9,14H2,1-2H3/b13-12-.
What are the key properties of (Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine?
(Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine has a molecular weight of 234.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine is sourced from PubChem (CID 143726609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).