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

C13H26N2O2 — CID 103026737

IUPAC[4-methoxy-4-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine
SMILESCOC(C)(C)CCC(NN)C1CC2CCC1O2
InChIInChI=1S/C13H26N2O2/c1-13(2,16-3)7-6-11(15-14)10-8-9-4-5-12(10)17-9/h9-12,15H,4-8,14H2,1-3H3
InChIKeyTWRPLALIWBTVKL-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.59
Rot. Bonds6

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

[4-methoxy-4-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine (PubChem CID 103026737) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is [4-methoxy-4-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-4-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine
PubChem CID103026737
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name[4-methoxy-4-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine
SMILESCOC(C)(C)CCC(NN)C1CC2CCC1O2
InChIInChI=1S/C13H26N2O2/c1-13(2,16-3)7-6-11(15-14)10-8-9-4-5-12(10)17-9/h9-12,15H,4-8,14H2,1-3H3
InChIKeyTWRPLALIWBTVKL-UHFFFAOYSA-N
XLogP1.59
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.59
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
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
3-Methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)hexan-1-amine
CID 64187242

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-4-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine?
The IUPAC name of [4-methoxy-4-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine (CID 103026737) is [4-methoxy-4-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine.
What is the SMILES notation for [4-methoxy-4-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine?
The canonical SMILES for [4-methoxy-4-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine is COC(C)(C)CCC(NN)C1CC2CCC1O2.
What is the InChIKey of [4-methoxy-4-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine?
The InChIKey is TWRPLALIWBTVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,16-3)7-6-11(15-14)10-8-9-4-5-12(10)17-9/h9-12,15H,4-8,14H2,1-3H3.
What are the key properties of [4-methoxy-4-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine?
[4-methoxy-4-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine has a molecular weight of 242.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-4-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)pentyl]hydrazine is sourced from PubChem (CID 103026737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).