[2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine

C16H23BrN2S — CID 105327972

IUPAC[2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine
SMILESNNC(CC12CC3CC(CC(C3)C1)C2)c1sccc1Br
InChIInChI=1S/C16H23BrN2S/c17-13-1-2-20-15(13)14(19-18)9-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,10-12,14,19H,3-9,18H2
InChIKeyYAZKAVNTDAKBDV-UHFFFAOYSA-N
MW355.35 g/mol
LogP4.62
Rot. Bonds4

About [2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine

[2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine (PubChem CID 105327972) has the molecular formula C16H23BrN2S and a molecular weight of 355.35 g/mol. Its IUPAC name is [2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine
PubChem CID105327972
Molecular FormulaC16H23BrN2S
Molecular Weight355.35 g/mol
Exact Mass354.08
IUPAC Name[2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine
SMILESNNC(CC12CC3CC(CC(C3)C1)C2)c1sccc1Br
InChIInChI=1S/C16H23BrN2S/c17-13-1-2-20-15(13)14(19-18)9-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,10-12,14,19H,3-9,18H2
InChIKeyYAZKAVNTDAKBDV-UHFFFAOYSA-N
XLogP4.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 54.62
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-(3-bromothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206154
[2-(1-adamantyl)-1-phenylethyl]hydrazine
CID 105283021
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropyl]hydrazine
CID 105327876
[1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine
CID 105327985
2-[2-(1-adamantyl)-1-bromoethyl]-3-chlorothiophene
CID 80531682
1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine
CID 105307933
2-(1-adamantyl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 80529894
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105319376
[1-(3-bromothiophen-2-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226600
[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297810
[1-(3-bromothiophen-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314337

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine (CID 105327972) is [2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine is NNC(CC12CC3CC(CC(C3)C1)C2)c1sccc1Br.
What is the InChIKey of [2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine?
The InChIKey is YAZKAVNTDAKBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2S/c17-13-1-2-20-15(13)14(19-18)9-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,10-12,14,19H,3-9,18H2.
What are the key properties of [2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine?
[2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine has a molecular weight of 355.35 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantyl)-1-(3-bromothiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105327972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).