N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine

C9H15NS — CID 142809560

IUPACN-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine
SMILESC/C=N/C=C(SC)/C(C)=C/C
InChIInChI=1S/C9H15NS/c1-5-8(3)9(11-4)7-10-6-2/h5-7H,1-4H3/b8-5+,9-7-,10-6+
InChIKeyUBHKBSSQNFEZGC-ZNZWULBLSA-N
MW169.29 g/mol
LogP3.25
Rot. Bonds3

About N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine

N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine (PubChem CID 142809560) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine
PubChem CID142809560
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC NameN-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine
SMILESC/C=N/C=C(SC)/C(C)=C/C
InChIInChI=1S/C9H15NS/c1-5-8(3)9(11-4)7-10-6-2/h5-7H,1-4H3/b8-5+,9-7-,10-6+
InChIKeyUBHKBSSQNFEZGC-ZNZWULBLSA-N
XLogP3.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (4Z)-5-(ethylideneamino)-3-methylpenta-2,4-dienedithioate
CID 90687127
N-[(1E)-3-methyl-2-prop-1-en-2-ylsulfanylbuta-1,3-dienyl]ethanimine
CID 123915297
(2Z)-N-methyl-2-(2-methylidenethiophen-3-ylidene)ethanimine
CID 139297349
N-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine
CID 142226066
ethane;N-[(1Z,3E)-3-methyl-2-methylsulfanylhexa-1,3,5-trienyl]methanimine
CID 142616343
N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine;prop-1-ene
CID 142809559
5-Ethenyl-3,3-dimethyl-6-methylsulfanylazepine
CID 143288910
6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine
CID 143838546
N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine
CID 143899913
N-[(Z)-3-methyl-2-methylsulfanylbut-1-enyl]ethanimine
CID 146207506
(2E)-3-ethylsulfanyl-N,4-dimethylpenta-2,4-dien-1-imine
CID 166906830
(2E,4Z)-N,3-dimethyl-5-methylsulfanylhexa-2,4-dien-1-imine
CID 168932464

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine (CID 142809560) is N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine is C/C=N/C=C(SC)/C(C)=C/C.
What is the InChIKey of N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine?
The InChIKey is UBHKBSSQNFEZGC-ZNZWULBLSA-N. The full InChI is InChI=1S/C9H15NS/c1-5-8(3)9(11-4)7-10-6-2/h5-7H,1-4H3/b8-5+,9-7-,10-6+.
What are the key properties of N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine?
N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine has a molecular weight of 169.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine is sourced from PubChem (CID 142809560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).