2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine

C10H19N3 — CID 118548884

IUPAC2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine
SMILESNNCCC1CNC2CC=CCC12
InChIInChI=1S/C10H19N3/c11-13-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-2,8-10,12-13H,3-7,11H2
InChIKeyXKQCBUXHBJJNCG-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.39
Rot. Bonds3

About 2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine

2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine (PubChem CID 118548884) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine.

Molecular Properties

Compound Name2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine
PubChem CID118548884
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine
SMILESNNCCC1CNC2CC=CCC12
InChIInChI=1S/C10H19N3/c11-13-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-2,8-10,12-13H,3-7,11H2
InChIKeyXKQCBUXHBJJNCG-UHFFFAOYSA-N
XLogP0.39
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine?
The IUPAC name of 2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine (CID 118548884) is 2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine.
What is the SMILES notation for 2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine?
The canonical SMILES for 2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine is NNCCC1CNC2CC=CCC12.
What is the InChIKey of 2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine?
The InChIKey is XKQCBUXHBJJNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c11-13-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-2,8-10,12-13H,3-7,11H2.
What are the key properties of 2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine?
2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine has a molecular weight of 181.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3a,4,7,7a-hexahydro-1H-indol-3-yl)ethylhydrazine is sourced from PubChem (CID 118548884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).