[1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine

C13H23ClN2S — CID 105296073

IUPAC[1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
SMILESCC(CC(Cc1ccc(Cl)s1)NN)C(C)(C)C
InChIInChI=1S/C13H23ClN2S/c1-9(13(2,3)4)7-10(16-15)8-11-5-6-12(14)17-11/h5-6,9-10,16H,7-8,15H2,1-4H3
InChIKeyDTVKTZSVJKRTDN-UHFFFAOYSA-N
MW274.86 g/mol
LogP3.85
Rot. Bonds5

About [1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine

[1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine (PubChem CID 105296073) has the molecular formula C13H23ClN2S and a molecular weight of 274.86 g/mol. Its IUPAC name is [1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
PubChem CID105296073
Molecular FormulaC13H23ClN2S
Molecular Weight274.86 g/mol
Exact Mass274.13
IUPAC Name[1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
SMILESCC(CC(Cc1ccc(Cl)s1)NN)C(C)(C)C
InChIInChI=1S/C13H23ClN2S/c1-9(13(2,3)4)7-10(16-15)8-11-5-6-12(14)17-11/h5-6,9-10,16H,7-8,15H2,1-4H3
InChIKeyDTVKTZSVJKRTDN-UHFFFAOYSA-N
XLogP3.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.86
LogP ≤ 53.85
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

[1-(5-chlorothiophen-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105199674
3-(5-chlorothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244888
[1-(5-chlorothiophen-2-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105295965
[1-(2-chloro-4-methylphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 106868573
[1-(5-chloro-2-methoxyphenyl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105297648
(4,5,5-trimethyl-1-pyridin-4-ylhexan-2-yl)hydrazine
CID 105317608
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
[1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine
CID 105228223
1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
CID 63891076
[1-(5-chlorothiophen-2-yl)-3-naphthalen-2-ylpropan-2-yl]hydrazine
CID 105295964
1-(5-bromothiophen-2-yl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 115841192
[1-(5-chlorothiophen-2-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 105295975

Frequently Asked Questions

What is the IUPAC name of [1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine?
The IUPAC name of [1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine (CID 105296073) is [1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine?
The canonical SMILES for [1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine is CC(CC(Cc1ccc(Cl)s1)NN)C(C)(C)C.
What is the InChIKey of [1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine?
The InChIKey is DTVKTZSVJKRTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN2S/c1-9(13(2,3)4)7-10(16-15)8-11-5-6-12(14)17-11/h5-6,9-10,16H,7-8,15H2,1-4H3.
What are the key properties of [1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine?
[1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine has a molecular weight of 274.86 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine is sourced from PubChem (CID 105296073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).