2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine

C9H19N3 — CID 130787774

IUPAC2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine
SMILESCC(NN(C)C)C1C2CNC1C2
InChIInChI=1S/C9H19N3/c1-6(11-12(2)3)9-7-4-8(9)10-5-7/h6-11H,4-5H2,1-3H3
InChIKeyNTHFWHRJYIEKGL-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.05
Rot. Bonds3

About 2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine

2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine (PubChem CID 130787774) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine.

Molecular Properties

Compound Name2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine
PubChem CID130787774
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine
SMILESCC(NN(C)C)C1C2CNC1C2
InChIInChI=1S/C9H19N3/c1-6(11-12(2)3)9-7-4-8(9)10-5-7/h6-11H,4-5H2,1-3H3
InChIKeyNTHFWHRJYIEKGL-UHFFFAOYSA-N
XLogP0.05
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine?
The IUPAC name of 2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine (CID 130787774) is 2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine.
What is the SMILES notation for 2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine?
The canonical SMILES for 2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine is CC(NN(C)C)C1C2CNC1C2.
What is the InChIKey of 2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine?
The InChIKey is NTHFWHRJYIEKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-6(11-12(2)3)9-7-4-8(9)10-5-7/h6-11H,4-5H2,1-3H3.
What are the key properties of 2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine?
2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine has a molecular weight of 169.27 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]-1,1-dimethylhydrazine is sourced from PubChem (CID 130787774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).