[(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine

C9H19N3 — CID 129109705

IUPAC[(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine
SMILESC[C@@H]1CC2CCCC[C@@H]2N1NN
InChIInChI=1S/C9H19N3/c1-7-6-8-4-2-3-5-9(8)12(7)11-10/h7-9,11H,2-6,10H2,1H3/t7-,8?,9+/m1/s1
InChIKeyGRXLDOGUWQZJFJ-NBXIYJJMSA-N
MW169.27 g/mol
LogP1.02
Rot. Bonds1

About [(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine

[(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine (PubChem CID 129109705) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is [(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine.

Molecular Properties

Compound Name[(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine
PubChem CID129109705
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name[(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine
SMILESC[C@@H]1CC2CCCC[C@@H]2N1NN
InChIInChI=1S/C9H19N3/c1-7-6-8-4-2-3-5-9(8)12(7)11-10/h7-9,11H,2-6,10H2,1H3/t7-,8?,9+/m1/s1
InChIKeyGRXLDOGUWQZJFJ-NBXIYJJMSA-N
XLogP1.02
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.02
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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Frequently Asked Questions

What is the IUPAC name of [(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine?
The IUPAC name of [(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine (CID 129109705) is [(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine.
What is the SMILES notation for [(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine?
The canonical SMILES for [(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine is C[C@@H]1CC2CCCC[C@@H]2N1NN.
What is the InChIKey of [(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine?
The InChIKey is GRXLDOGUWQZJFJ-NBXIYJJMSA-N. The full InChI is InChI=1S/C9H19N3/c1-7-6-8-4-2-3-5-9(8)12(7)11-10/h7-9,11H,2-6,10H2,1H3/t7-,8?,9+/m1/s1.
What are the key properties of [(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine?
[(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine has a molecular weight of 169.27 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]hydrazine is sourced from PubChem (CID 129109705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).