[7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine

C16H24N2O2 — CID 105221774

IUPAC[7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine
SMILESCC(C)Oc1ccc(C(NN)C2CC3CCC2O3)cc1
InChIInChI=1S/C16H24N2O2/c1-10(2)19-12-5-3-11(4-6-12)16(18-17)14-9-13-7-8-15(14)20-13/h3-6,10,13-16,18H,7-9,17H2,1-2H3
InChIKeyXETYPAAFCZGYKU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.55
Rot. Bonds5

About [7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine

[7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine (PubChem CID 105221774) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine
PubChem CID105221774
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine
SMILESCC(C)Oc1ccc(C(NN)C2CC3CCC2O3)cc1
InChIInChI=1S/C16H24N2O2/c1-10(2)19-12-5-3-11(4-6-12)16(18-17)14-9-13-7-8-15(14)20-13/h3-6,10,13-16,18H,7-9,17H2,1-2H3
InChIKeyXETYPAAFCZGYKU-UHFFFAOYSA-N
XLogP2.55
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.55
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

[3-bicyclo[3.1.0]hexanyl-(4-propan-2-yloxyphenyl)methyl]hydrazine
CID 105304111
[(2,3-difluoro-4-methylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
CID 107516382
[2,3-dihydrofuran-5-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]hydrazine
CID 102654154
N-methyl-1-(5-methyloxolan-2-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 81329924
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)ethanamine
CID 83229574
N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 61276553
N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 64990064
N-[oxan-4-yl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 62905659
N-[cyclopropyl-(4-methylphenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715476
N-[cyclopentyl-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492157

Frequently Asked Questions

What is the IUPAC name of [7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine?
The IUPAC name of [7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine (CID 105221774) is [7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine.
What is the SMILES notation for [7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine?
The canonical SMILES for [7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine is CC(C)Oc1ccc(C(NN)C2CC3CCC2O3)cc1.
What is the InChIKey of [7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine?
The InChIKey is XETYPAAFCZGYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)19-12-5-3-11(4-6-12)16(18-17)14-9-13-7-8-15(14)20-13/h3-6,10,13-16,18H,7-9,17H2,1-2H3.
What are the key properties of [7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine?
[7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine has a molecular weight of 276.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-oxabicyclo[2.2.1]heptan-2-yl-(4-propan-2-yloxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105221774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).