[3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine

C11H22N2O — CID 105221482

IUPAC[3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine
SMILESCC(C)CC(NN)C1CC2CCC1O2
InChIInChI=1S/C11H22N2O/c1-7(2)5-10(13-12)9-6-8-3-4-11(9)14-8/h7-11,13H,3-6,12H2,1-2H3
InChIKeyTXGVGTKHQKQJQU-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.43
Rot. Bonds4

About [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine

[3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine (PubChem CID 105221482) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine
PubChem CID105221482
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine
SMILESCC(C)CC(NN)C1CC2CCC1O2
InChIInChI=1S/C11H22N2O/c1-7(2)5-10(13-12)9-6-8-3-4-11(9)14-8/h7-11,13H,3-6,12H2,1-2H3
InChIKeyTXGVGTKHQKQJQU-UHFFFAOYSA-N
XLogP1.43
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.43
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

[4,4,4-Trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine
CID 105221488
[5,5,5-Trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine
CID 105221592
[1-(4,4-Difluorocyclohexyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314335
[2-(3,3-Difluorocyclohexyl)-1-(2-ethyloxolan-3-yl)ethyl]hydrazine
CID 114226053
7-Oxabicyclo[2.2.1]heptan-2-ylmethylhydrazine;dihydrochloride
CID 66665814
({7-Oxabicyclo[2.2.1]heptan-2-yl}methyl)hydrazine
CID 66665815
[3,6-Dimethyl-2-(3-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]hydrazine
CID 174918380
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)heptan-1-amine
CID 64185856
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)decan-1-amine
CID 64186045
3-Ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)heptan-1-amine
CID 64186048
Cyclopentyl(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 64186049
1-{7-Oxabicyclo[2.2.1]heptan-2-yl}ethan-1-amine
CID 64186243

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine?
The IUPAC name of [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine (CID 105221482) is [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine.
What is the SMILES notation for [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine?
The canonical SMILES for [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine is CC(C)CC(NN)C1CC2CCC1O2.
What is the InChIKey of [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine?
The InChIKey is TXGVGTKHQKQJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7(2)5-10(13-12)9-6-8-3-4-11(9)14-8/h7-11,13H,3-6,12H2,1-2H3.
What are the key properties of [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine?
[3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine has a molecular weight of 198.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine is sourced from PubChem (CID 105221482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).