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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Related Compounds

(1S,4S)-2-azabicyclo[2.1.0]pentane
CID 29082085
(1R,4R)-2-azabicyclo[2.1.0]pentane
CID 29082087
2-azabicyclo[2.1.0]pentane;hydrochloride
CID 67309553
5-[1-(3-methoxyazetidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane
CID 131062561
5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane
CID 164648889
1-[1-(2-azabicyclo[2.1.1]hexan-5-yl)ethyl]pyrrolidin-3-ol
CID 130961402
(1R,4S)-5-methyl-2-azabicyclo[2.1.1]hexane
CID 168742834
5-(2-fluoro-3,4-dimethylpentan-2-yl)-2-azabicyclo[2.1.1]hexane
CID 127016526
5-(3-propan-2-ylazetidin-1-yl)-2-azabicyclo[2.1.1]hexane
CID 131059636
(1S,4R,5S)-5-fluoro-2-azabicyclo[2.1.1]hexane
CID 55280748
2-azabicyclo[2.1.1]hexane-5-thiol
CID 123927307
6-azatricyclo[3.2.1.03,8]octane
CID 129230389

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).