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

C17H26N2S2 — CID 105259545

IUPAC[1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
SMILESCC1SCCSC1C(CC1CCCc2ccccc21)NN
InChIInChI=1S/C17H26N2S2/c1-12-17(21-10-9-20-12)16(19-18)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8,12,14,16-17,19H,4,6-7,9-11,18H2,1H3
InChIKeyVTOJCUKMNMTHFH-UHFFFAOYSA-N
MW322.54 g/mol
LogP3.57
Rot. Bonds4

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

[1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine (PubChem CID 105259545) has the molecular formula C17H26N2S2 and a molecular weight of 322.54 g/mol. Its IUPAC name is [1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
PubChem CID105259545
Molecular FormulaC17H26N2S2
Molecular Weight322.54 g/mol
Exact Mass322.15
IUPAC Name[1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
SMILESCC1SCCSC1C(CC1CCCc2ccccc21)NN
InChIInChI=1S/C17H26N2S2/c1-12-17(21-10-9-20-12)16(19-18)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8,12,14,16-17,19H,4,6-7,9-11,18H2,1H3
InChIKeyVTOJCUKMNMTHFH-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 53.57
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

[1-(2,2-dimethylcyclopentyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 107193445
N-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387274
[3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-yl]hydrazine
CID 105245335
[1,1-difluoro-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl]hydrazine
CID 105265068
[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-yl]hydrazine
CID 105219620
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
N-methyl-1-(1,4-oxathian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79963939
[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105259569
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 115812317
N,N-diethyl-3-hydrazinyl-4-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-amine
CID 105244036
[1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-yl]hydrazine
CID 105195209
N-ethyl-1-(2-methylcyclopentyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 107187975

Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine (CID 105259545) is [1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine is CC1SCCSC1C(CC1CCCc2ccccc21)NN.
What is the InChIKey of [1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine?
The InChIKey is VTOJCUKMNMTHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S2/c1-12-17(21-10-9-20-12)16(19-18)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-3,5,8,12,14,16-17,19H,4,6-7,9-11,18H2,1H3.
What are the key properties of [1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine?
[1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine has a molecular weight of 322.54 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine is sourced from PubChem (CID 105259545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).