[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine

C14H26N2S2 — CID 105259751

IUPAC[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCC1SCCSC1C(CC1CC2CCC1C2)NN
InChIInChI=1S/C14H26N2S2/c1-9-14(18-5-4-17-9)13(16-15)8-12-7-10-2-3-11(12)6-10/h9-14,16H,2-8,15H2,1H3
InChIKeyTVLSHIKYTIFXRW-UHFFFAOYSA-N
MW286.51 g/mol
LogP2.88
Rot. Bonds4

About [2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine

[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine (PubChem CID 105259751) has the molecular formula C14H26N2S2 and a molecular weight of 286.51 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
PubChem CID105259751
Molecular FormulaC14H26N2S2
Molecular Weight286.51 g/mol
Exact Mass286.15
IUPAC Name[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCC1SCCSC1C(CC1CC2CCC1C2)NN
InChIInChI=1S/C14H26N2S2/c1-9-14(18-5-4-17-9)13(16-15)8-12-7-10-2-3-11(12)6-10/h9-14,16H,2-8,15H2,1H3
InChIKeyTVLSHIKYTIFXRW-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 52.88
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

[2-(2-bicyclo[2.2.1]heptanyl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255972
[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-propan-2-ylcyclohexyl)ethyl]hydrazine
CID 105232617
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105312330
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dithian-2-yl)-N-methylethanamine
CID 79965768
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethyl]hydrazine
CID 105341600
1-(3-methyl-1,4-dithian-2-yl)octylhydrazine
CID 105259521
[1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopropylpropan-2-yl]hydrazine
CID 105254238
[1-(2-bicyclo[2.2.1]heptanyl)-5-methylhexan-2-yl]hydrazine
CID 105207728
[1-(3-methyl-1,4-dithian-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105259545
[1-(2-bicyclo[2.2.1]heptanyl)-4-methylhexan-2-yl]hydrazine
CID 105298462
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 104988995
[5,5,5-trifluoro-1-(3-methyl-1,4-dithian-2-yl)pentyl]hydrazine
CID 105259546

Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine (CID 105259751) is [2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine is CC1SCCSC1C(CC1CC2CCC1C2)NN.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
The InChIKey is TVLSHIKYTIFXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S2/c1-9-14(18-5-4-17-9)13(16-15)8-12-7-10-2-3-11(12)6-10/h9-14,16H,2-8,15H2,1H3.
What are the key properties of [2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine has a molecular weight of 286.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]heptanyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105259751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).