[1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine

C9H18N2O2 — CID 105319742

IUPAC[1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)C1COCCO1
InChIInChI=1S/C9H18N2O2/c1-7(2)5-8(11-10)9-6-12-3-4-13-9/h5,8-9,11H,3-4,6,10H2,1-2H3
InChIKeyJWWSGWGYTWQVOV-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.20
Rot. Bonds3

About [1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine

[1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine (PubChem CID 105319742) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is [1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine.

Molecular Properties

Compound Name[1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine
PubChem CID105319742
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name[1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)C1COCCO1
InChIInChI=1S/C9H18N2O2/c1-7(2)5-8(11-10)9-6-12-3-4-13-9/h5,8-9,11H,3-4,6,10H2,1-2H3
InChIKeyJWWSGWGYTWQVOV-UHFFFAOYSA-N
XLogP0.20
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

[1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypropyl]hydrazine
CID 102649983
[1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxypropyl]hydrazine
CID 102650068
[1-(3,4-dihydro-2H-pyran-6-yl)-2-propan-2-yloxyethyl]hydrazine
CID 102650228
[3,4-dihydro-2H-pyran-6-yl(1,4-dioxan-2-yl)methyl]hydrazine
CID 102650299
[2,3-Dihydrofuran-5-yl(1,4-dioxan-2-yl)methyl]hydrazine
CID 102654487
[1-(2-Methoxyethoxy)-5-methylhex-4-en-3-yl]hydrazine
CID 102929796
[1-(3,4-dihydro-2H-pyran-6-yl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102929992
[1-(2,3-Dihydrofuran-5-yl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102930061
(2-Ethoxy-5-methylhex-4-en-3-yl)hydrazine
CID 105223013
(2-Methoxy-5-methylhex-4-en-3-yl)hydrazine
CID 105247116
(5-Ethoxy-2-methylhept-2-en-4-yl)hydrazine
CID 105271211
(4-Methyl-1-propan-2-yloxypent-3-en-2-yl)hydrazine
CID 105319716

Frequently Asked Questions

What is the IUPAC name of [1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine?
The IUPAC name of [1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine (CID 105319742) is [1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine.
What is the SMILES notation for [1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine?
The canonical SMILES for [1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine is CC(C)=CC(NN)C1COCCO1.
What is the InChIKey of [1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine?
The InChIKey is JWWSGWGYTWQVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)5-8(11-10)9-6-12-3-4-13-9/h5,8-9,11H,3-4,6,10H2,1-2H3.
What are the key properties of [1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine?
[1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine has a molecular weight of 186.25 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-dioxan-2-yl)-3-methylbut-2-enyl]hydrazine is sourced from PubChem (CID 105319742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).