[3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine

C11H22N2O — CID 105256254

IUPAC[3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine
SMILESC=C(C)CC(NN)C1(C)CCCCO1
InChIInChI=1S/C11H22N2O/c1-9(2)8-10(13-12)11(3)6-4-5-7-14-11/h10,13H,1,4-8,12H2,2-3H3
InChIKeyDUALFXDQPDHEMD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.74
Rot. Bonds4

About [3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine

[3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine (PubChem CID 105256254) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine
PubChem CID105256254
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine
SMILESC=C(C)CC(NN)C1(C)CCCCO1
InChIInChI=1S/C11H22N2O/c1-9(2)8-10(13-12)11(3)6-4-5-7-14-11/h10,13H,1,4-8,12H2,2-3H3
InChIKeyDUALFXDQPDHEMD-UHFFFAOYSA-N
XLogP1.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 [3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine?
The IUPAC name of [3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine (CID 105256254) is [3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine.
What is the SMILES notation for [3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine?
The canonical SMILES for [3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine is C=C(C)CC(NN)C1(C)CCCCO1.
What is the InChIKey of [3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine?
The InChIKey is DUALFXDQPDHEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)8-10(13-12)11(3)6-4-5-7-14-11/h10,13H,1,4-8,12H2,2-3H3.
What are the key properties of [3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine?
[3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine has a molecular weight of 198.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-methyloxan-2-yl)but-3-enyl]hydrazine is sourced from PubChem (CID 105256254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).