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

C12H24N2O2 — CID 105221505

IUPAC[4-methoxy-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine
SMILESCOCCC(C)C(NN)C1CC2CCC1O2
InChIInChI=1S/C12H24N2O2/c1-8(5-6-15-2)12(14-13)10-7-9-3-4-11(10)16-9/h8-12,14H,3-7,13H2,1-2H3
InChIKeyQINMEYIWPISGDN-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds6

About [4-methoxy-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine

[4-methoxy-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine (PubChem CID 105221505) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is [4-methoxy-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine
PubChem CID105221505
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name[4-methoxy-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine
SMILESCOCCC(C)C(NN)C1CC2CCC1O2
InChIInChI=1S/C12H24N2O2/c1-8(5-6-15-2)12(14-13)10-7-9-3-4-11(10)16-9/h8-12,14H,3-7,13H2,1-2H3
InChIKeyQINMEYIWPISGDN-UHFFFAOYSA-N
XLogP1.06
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
[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
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
7-Oxabicyclo[2.2.1]heptan-2-yl(oxan-4-yl)methanamine
CID 64186635
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)hexan-1-amine
CID 64186843
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)nonan-1-amine
CID 64187036
1-(7-Oxabicyclo[2.2.1]heptan-2-yl)pentan-1-amine
CID 64187236

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine?
The IUPAC name of [4-methoxy-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine (CID 105221505) is [4-methoxy-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine.
What is the SMILES notation for [4-methoxy-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine?
The canonical SMILES for [4-methoxy-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine is COCCC(C)C(NN)C1CC2CCC1O2.
What is the InChIKey of [4-methoxy-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine?
The InChIKey is QINMEYIWPISGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(5-6-15-2)12(14-13)10-7-9-3-4-11(10)16-9/h8-12,14H,3-7,13H2,1-2H3.
What are the key properties of [4-methoxy-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine?
[4-methoxy-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine has a molecular weight of 228.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butyl]hydrazine is sourced from PubChem (CID 105221505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).