[[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine

C16H26N2S — CID 105255948

IUPAC[[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine
SMILESCC(C)Cc1cccc(C(NN)C2CCCCS2)c1
InChIInChI=1S/C16H26N2S/c1-12(2)10-13-6-5-7-14(11-13)16(18-17)15-8-3-4-9-19-15/h5-7,11-12,15-16,18H,3-4,8-10,17H2,1-2H3
InChIKeyHIXNSUDOKCCQAB-UHFFFAOYSA-N
MW278.47 g/mol
LogP3.68
Rot. Bonds5

About [[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine

[[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine (PubChem CID 105255948) has the molecular formula C16H26N2S and a molecular weight of 278.47 g/mol. Its IUPAC name is [[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine
PubChem CID105255948
Molecular FormulaC16H26N2S
Molecular Weight278.47 g/mol
Exact Mass278.18
IUPAC Name[[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine
SMILESCC(C)Cc1cccc(C(NN)C2CCCCS2)c1
InChIInChI=1S/C16H26N2S/c1-12(2)10-13-6-5-7-14(11-13)16(18-17)15-8-3-4-9-19-15/h5-7,11-12,15-16,18H,3-4,8-10,17H2,1-2H3
InChIKeyHIXNSUDOKCCQAB-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methylpropyl)phenyl]-(thiolan-2-yl)methanamine
CID 116544898
[(4-propan-2-ylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255964
[(3-ethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105233003
[thian-2-yl-[3-(trifluoromethoxy)phenyl]methyl]hydrazine
CID 105255890
N-[1,4-dithian-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544805
[(3-ethylcyclopentyl)-[3-(2-methylpropyl)phenyl]methyl]hydrazine
CID 105233681
[(4-propan-2-ylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255613
[(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255558
[(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255698
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050622
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine
CID 105050817

Frequently Asked Questions

What is the IUPAC name of [[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine?
The IUPAC name of [[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine (CID 105255948) is [[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine.
What is the SMILES notation for [[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine?
The canonical SMILES for [[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine is CC(C)Cc1cccc(C(NN)C2CCCCS2)c1.
What is the InChIKey of [[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine?
The InChIKey is HIXNSUDOKCCQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12(2)10-13-6-5-7-14(11-13)16(18-17)15-8-3-4-9-19-15/h5-7,11-12,15-16,18H,3-4,8-10,17H2,1-2H3.
What are the key properties of [[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine?
[[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine has a molecular weight of 278.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(2-methylpropyl)phenyl]-(thian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).