[2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine

C16H32N2O2 — CID 105272226

IUPAC[2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine
SMILESCOC(C(C)C)C(NN)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H32N2O2/c1-12(2)15(19-3)14(18-17)13-7-10-20-16(11-13)8-5-4-6-9-16/h12-15,18H,4-11,17H2,1-3H3
InChIKeyJVQRGEIJKUREOM-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.62
Rot. Bonds5

About [2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine

[2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine (PubChem CID 105272226) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is [2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine.

Molecular Properties

Compound Name[2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine
PubChem CID105272226
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name[2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine
SMILESCOC(C(C)C)C(NN)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H32N2O2/c1-12(2)15(19-3)14(18-17)13-7-10-20-16(11-13)8-5-4-6-9-16/h12-15,18H,4-11,17H2,1-3H3
InChIKeyJVQRGEIJKUREOM-UHFFFAOYSA-N
XLogP2.62
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.62
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

2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79911899
N,2-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79915589
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2-dimethoxyethyl]hydrazine
CID 105246210
[cyclohexyl(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105201946
methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate
CID 79912845
2-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116719811
[(5-methylfuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105325208
3-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 113391352
2-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 81020446
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039
2-cyclopropyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105016192

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine?
The IUPAC name of [2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine (CID 105272226) is [2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine.
What is the SMILES notation for [2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine?
The canonical SMILES for [2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine is COC(C(C)C)C(NN)C1CCOC2(CCCCC2)C1.
What is the InChIKey of [2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine?
The InChIKey is JVQRGEIJKUREOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)15(19-3)14(18-17)13-7-10-20-16(11-13)8-5-4-6-9-16/h12-15,18H,4-11,17H2,1-3H3.
What are the key properties of [2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine?
[2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine has a molecular weight of 284.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)butyl]hydrazine is sourced from PubChem (CID 105272226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).