[1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine

C11H22N2O2 — CID 102650152

IUPAC[1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C(C)C)C(NN)C1=CCCCO1
InChIInChI=1S/C11H22N2O2/c1-8(2)11(14-3)10(13-12)9-6-4-5-7-15-9/h6,8,10-11,13H,4-5,7,12H2,1-3H3
InChIKeyKPTLHEMLUMGKIL-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.18
Rot. Bonds5

About [1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine

[1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine (PubChem CID 102650152) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine
PubChem CID102650152
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C(C)C)C(NN)C1=CCCCO1
InChIInChI=1S/C11H22N2O2/c1-8(2)11(14-3)10(13-12)9-6-4-5-7-15-9/h6,8,10-11,13H,4-5,7,12H2,1-3H3
InChIKeyKPTLHEMLUMGKIL-UHFFFAOYSA-N
XLogP1.18
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.18
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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Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine?
The IUPAC name of [1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine (CID 102650152) is [1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine is COC(C(C)C)C(NN)C1=CCCCO1.
What is the InChIKey of [1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine?
The InChIKey is KPTLHEMLUMGKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)11(14-3)10(13-12)9-6-4-5-7-15-9/h6,8,10-11,13H,4-5,7,12H2,1-3H3.
What are the key properties of [1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine?
[1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine has a molecular weight of 214.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-3-methylbutyl]hydrazine is sourced from PubChem (CID 102650152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).