1-tert-butylsulfanylhept-5-yn-2-ylhydrazine

C11H22N2S — CID 105226523

IUPAC1-tert-butylsulfanylhept-5-yn-2-ylhydrazine
SMILESCC#CCCC(CSC(C)(C)C)NN
InChIInChI=1S/C11H22N2S/c1-5-6-7-8-10(13-12)9-14-11(2,3)4/h10,13H,7-9,12H2,1-4H3
InChIKeyGZJDZLPKXVJLEO-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.15
Rot. Bonds5

About 1-tert-butylsulfanylhept-5-yn-2-ylhydrazine

1-tert-butylsulfanylhept-5-yn-2-ylhydrazine (PubChem CID 105226523) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-tert-butylsulfanylhept-5-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-tert-butylsulfanylhept-5-yn-2-ylhydrazine
PubChem CID105226523
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name1-tert-butylsulfanylhept-5-yn-2-ylhydrazine
SMILESCC#CCCC(CSC(C)(C)C)NN
InChIInChI=1S/C11H22N2S/c1-5-6-7-8-10(13-12)9-14-11(2,3)4/h10,13H,7-9,12H2,1-4H3
InChIKeyGZJDZLPKXVJLEO-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.15
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1-Tert-butylsulfanyl-5,5,5-trifluoropentan-2-yl)hydrazine
CID 105226308
1-Methyl-2-[2-(propylsulfanylmethyl)cyclopropyl]hydrazine
CID 164129204
1-(5,6-Dimethyl-1,4-dithian-2-yl)pent-4-ynylhydrazine
CID 103347090
1-(5,6-Dimethyl-1,4-dithian-2-yl)hex-4-ynylhydrazine
CID 103347165
1-(5,6-Dimethyl-1,4-dithian-2-yl)but-3-ynylhydrazine
CID 103347205
1-(5,6-Dimethyl-1,4-dithian-2-yl)pent-3-ynylhydrazine
CID 103347290
1-(5,6-Dimethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine
CID 103347376
(3-Ethyl-1-methylsulfanylpentan-2-yl)hydrazine
CID 105213735
1-Methylsulfanylpentan-2-ylhydrazine
CID 105213777
1-Methylsulfanylhex-4-yn-2-ylhydrazine
CID 105213837
1-Methylsulfanylhex-5-yn-2-ylhydrazine
CID 105213892
1-Methylsulfanylhept-6-yn-2-ylhydrazine
CID 105213925

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanylhept-5-yn-2-ylhydrazine?
The IUPAC name of 1-tert-butylsulfanylhept-5-yn-2-ylhydrazine (CID 105226523) is 1-tert-butylsulfanylhept-5-yn-2-ylhydrazine.
What is the SMILES notation for 1-tert-butylsulfanylhept-5-yn-2-ylhydrazine?
The canonical SMILES for 1-tert-butylsulfanylhept-5-yn-2-ylhydrazine is CC#CCCC(CSC(C)(C)C)NN.
What is the InChIKey of 1-tert-butylsulfanylhept-5-yn-2-ylhydrazine?
The InChIKey is GZJDZLPKXVJLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-5-6-7-8-10(13-12)9-14-11(2,3)4/h10,13H,7-9,12H2,1-4H3.
What are the key properties of 1-tert-butylsulfanylhept-5-yn-2-ylhydrazine?
1-tert-butylsulfanylhept-5-yn-2-ylhydrazine has a molecular weight of 214.38 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanylhept-5-yn-2-ylhydrazine is sourced from PubChem (CID 105226523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).