[(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine

C17H26N2S2 — CID 105259848

IUPAC[(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCCC1SCCSC1C(NN)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H26N2S2/c1-2-15-17(21-10-9-20-15)16(19-18)14-8-4-7-13(11-14)12-5-3-6-12/h4,7-8,11-12,15-17,19H,2-3,5-6,9-10,18H2,1H3
InChIKeyIOJLQLOWCKNTRJ-UHFFFAOYSA-N
MW322.54 g/mol
LogP4.09
Rot. Bonds5

About [(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine

[(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine (PubChem CID 105259848) has the molecular formula C17H26N2S2 and a molecular weight of 322.54 g/mol. Its IUPAC name is [(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
PubChem CID105259848
Molecular FormulaC17H26N2S2
Molecular Weight322.54 g/mol
Exact Mass322.15
IUPAC Name[(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCCC1SCCSC1C(NN)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H26N2S2/c1-2-15-17(21-10-9-20-15)16(19-18)14-8-4-7-13(11-14)12-5-3-6-12/h4,7-8,11-12,15-17,19H,2-3,5-6,9-10,18H2,1H3
InChIKeyIOJLQLOWCKNTRJ-UHFFFAOYSA-N
XLogP4.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine
CID 105259841
1-(3-cyclobutylphenyl)propylhydrazine
CID 105200963
[(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105260045
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
[(3-cyclobutylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105342042
[1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine
CID 105213827
[1-(3-cyclobutylphenyl)-2-methoxypentyl]hydrazine
CID 105271668
1-(3-cyclobutylphenyl)nonylhydrazine
CID 105342031
1-(3-cyclobutylphenyl)-1-cyclopentyl-N-methylmethanamine
CID 114602754
1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
(3-ethyl-1,4-dithian-2-yl)-(3-methylphenyl)methanamine
CID 113299656
[(3-cyclobutylphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105342013

Frequently Asked Questions

What is the IUPAC name of [(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine?
The IUPAC name of [(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine (CID 105259848) is [(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine is CCC1SCCSC1C(NN)c1cccc(C2CCC2)c1.
What is the InChIKey of [(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine?
The InChIKey is IOJLQLOWCKNTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S2/c1-2-15-17(21-10-9-20-15)16(19-18)14-8-4-7-13(11-14)12-5-3-6-12/h4,7-8,11-12,15-17,19H,2-3,5-6,9-10,18H2,1H3.
What are the key properties of [(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine?
[(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine has a molecular weight of 322.54 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105259848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).