ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene

C24H37NS — CID 143712501

IUPACethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene
SMILESC=C(C)CC.C=CS/C(=N\C)c1ccc(=C\CCC)/c(=C\CCCC)c1
InChIInChI=1S/C19H27NS.C5H10/c1-5-8-10-12-17-15-18(19(20-4)21-7-3)14-13-16(17)11-9-6-2;1-4-5(2)3/h7,11-15H,3,5-6,8-10H2,1-2,4H3;2,4H2,1,3H3/b16-11+,17-12-,20-19-;
InChIKeyZBFPPRMVMMQJCQ-MTJYITEUSA-N
MW371.63 g/mol
LogP6.46
Rot. Bonds8

About ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene

ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene (PubChem CID 143712501) has the molecular formula C24H37NS and a molecular weight of 371.63 g/mol. Its IUPAC name is ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene.

Molecular Properties

Compound Nameethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene
PubChem CID143712501
Molecular FormulaC24H37NS
Molecular Weight371.63 g/mol
Exact Mass371.26
IUPAC Nameethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene
SMILESC=C(C)CC.C=CS/C(=N\C)c1ccc(=C\CCC)/c(=C\CCCC)c1
InChIInChI=1S/C19H27NS.C5H10/c1-5-8-10-12-17-15-18(19(20-4)21-7-3)14-13-16(17)11-9-6-2;1-4-5(2)3/h7,11-15H,3,5-6,8-10H2,1-2,4H3;2,4H2,1,3H3/b16-11+,17-12-,20-19-;
InChIKeyZBFPPRMVMMQJCQ-MTJYITEUSA-N
XLogP6.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.63
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene 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

ethenyl 3-(aminomethyl)-N-methylbenzenecarboximidothioate
CID 144862390
hex-1-ene;2-methylbut-1-ene
CID 172686626
ethane;ethenyl 4-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]sulfanyl-N-methylbenzenecarboximidothioate
CID 144501961
6-butylidene-5-(5,5-dimethylhexylidene)-2-fluorocyclohexa-1,3-diene
CID 91344627
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
butane;ethane;2-methylbut-1-ene
CID 142050807
1-(4-butoxyphenyl)prop-1-en-1-ol;ethane;2-methylbut-1-ene
CID 143299970
butane;2,6-dimethylspiro[3.3]heptane;ethane;1-[5-ethyl-2-(4-methylpenta-1,3-dien-3-yl)phenyl]-N-methylethanimine;2-methylbut-1-ene;pentane
CID 145439539
1-butyl-4-penta-2,4-dien-2-ylbenzene
CID 123525800
2-(4-butylphenyl)prop-2-en-1-ol
CID 58735370
ethane;hex-1-ene;2-methylprop-1-ene;propane
CID 144528656
1-butyl-4-[3-(4-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 122396068

Frequently Asked Questions

What is the IUPAC name of ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene?
The IUPAC name of ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene (CID 143712501) is ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene.
What is the SMILES notation for ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene?
The canonical SMILES for ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene is C=C(C)CC.C=CS/C(=N\C)c1ccc(=C\CCC)/c(=C\CCCC)c1.
What is the InChIKey of ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene?
The InChIKey is ZBFPPRMVMMQJCQ-MTJYITEUSA-N. The full InChI is InChI=1S/C19H27NS.C5H10/c1-5-8-10-12-17-15-18(19(20-4)21-7-3)14-13-16(17)11-9-6-2;1-4-5(2)3/h7,11-15H,3,5-6,8-10H2,1-2,4H3;2,4H2,1,3H3/b16-11+,17-12-,20-19-;.
What are the key properties of ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene?
ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene has a molecular weight of 371.63 g/mol, XLogP of 6.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene is sourced from PubChem (CID 143712501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).