1-tert-butylsulfanylheptan-2-ylhydrazine

C11H26N2S — CID 105226571

IUPAC1-tert-butylsulfanylheptan-2-ylhydrazine
SMILESCCCCCC(CSC(C)(C)C)NN
InChIInChI=1S/C11H26N2S/c1-5-6-7-8-10(13-12)9-14-11(2,3)4/h10,13H,5-9,12H2,1-4H3
InChIKeyLUWQWRLBECKMLE-UHFFFAOYSA-N
MW218.41 g/mol
LogP2.93
Rot. Bonds7

About 1-tert-butylsulfanylheptan-2-ylhydrazine

1-tert-butylsulfanylheptan-2-ylhydrazine (PubChem CID 105226571) has the molecular formula C11H26N2S and a molecular weight of 218.41 g/mol. Its IUPAC name is 1-tert-butylsulfanylheptan-2-ylhydrazine.

Molecular Properties

Compound Name1-tert-butylsulfanylheptan-2-ylhydrazine
PubChem CID105226571
Molecular FormulaC11H26N2S
Molecular Weight218.41 g/mol
Exact Mass218.18
IUPAC Name1-tert-butylsulfanylheptan-2-ylhydrazine
SMILESCCCCCC(CSC(C)(C)C)NN
InChIInChI=1S/C11H26N2S/c1-5-6-7-8-10(13-12)9-14-11(2,3)4/h10,13H,5-9,12H2,1-4H3
InChIKeyLUWQWRLBECKMLE-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butylsulfanyl-N-methylnonan-2-amine
CID 65132720
(1-tert-butylsulfanyl-5,5-dimethylhexan-2-yl)hydrazine
CID 105226501
1-ethylsulfanylnonan-2-ylhydrazine
CID 105225292
1-propan-2-ylsulfanylnonan-2-ylhydrazine
CID 105226034
1-propan-2-ylsulfanyltetradecan-2-ylhydrazine
CID 105226035
1-propan-2-ylsulfanylundecan-2-ylhydrazine
CID 105226075
1-propylsulfanyldecan-2-ylhydrazine
CID 105225668
2,2-dimethyltridecan-4-ylhydrazine
CID 105220297
1-tert-butylsulfanylhept-5-yn-2-ylhydrazine
CID 105226523
pentadecan-3-ylhydrazine
CID 105200968
tridecan-3-ylhydrazine
CID 105201157
(2R)-1-tert-butylsulfanyloctan-2-ol
CID 10856971

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanylheptan-2-ylhydrazine?
The IUPAC name of 1-tert-butylsulfanylheptan-2-ylhydrazine (CID 105226571) is 1-tert-butylsulfanylheptan-2-ylhydrazine.
What is the SMILES notation for 1-tert-butylsulfanylheptan-2-ylhydrazine?
The canonical SMILES for 1-tert-butylsulfanylheptan-2-ylhydrazine is CCCCCC(CSC(C)(C)C)NN.
What is the InChIKey of 1-tert-butylsulfanylheptan-2-ylhydrazine?
The InChIKey is LUWQWRLBECKMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2S/c1-5-6-7-8-10(13-12)9-14-11(2,3)4/h10,13H,5-9,12H2,1-4H3.
What are the key properties of 1-tert-butylsulfanylheptan-2-ylhydrazine?
1-tert-butylsulfanylheptan-2-ylhydrazine has a molecular weight of 218.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanylheptan-2-ylhydrazine is sourced from PubChem (CID 105226571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).