[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine

C14H22N2O2 — CID 107895095

IUPAC[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine
SMILESCCCC(C)C(NN)C1COc2ccccc2O1
InChIInChI=1S/C14H22N2O2/c1-3-6-10(2)14(16-15)13-9-17-11-7-4-5-8-12(11)18-13/h4-5,7-8,10,13-14,16H,3,6,9,15H2,1-2H3
InChIKeyKIDMPFNONGQDEP-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.09
Rot. Bonds5

About [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine

[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine (PubChem CID 107895095) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine
PubChem CID107895095
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine
SMILESCCCC(C)C(NN)C1COc2ccccc2O1
InChIInChI=1S/C14H22N2O2/c1-3-6-10(2)14(16-15)13-9-17-11-7-4-5-8-12(11)18-13/h4-5,7-8,10,13-14,16H,3,6,9,15H2,1-2H3
InChIKeyKIDMPFNONGQDEP-UHFFFAOYSA-N
XLogP2.09
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.09
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

[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine
CID 105230267
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentan-1-ol
CID 114013464
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine
CID 107895416
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine
CID 65352769
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-propoxyethyl]hydrazine
CID 105230151
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001
3-(1-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 91622126
1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-enylhydrazine
CID 105230212
1-(2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propylpentan-1-amine
CID 107894211
butyl-[(1S)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]azanium
CID 7076054
3-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(propan-2-ylamino)propan-1-ol
CID 71633036
butyl-[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]azanium
CID 7076056

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine (CID 107895095) is [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine is CCCC(C)C(NN)C1COc2ccccc2O1.
What is the InChIKey of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine?
The InChIKey is KIDMPFNONGQDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-6-10(2)14(16-15)13-9-17-11-7-4-5-8-12(11)18-13/h4-5,7-8,10,13-14,16H,3,6,9,15H2,1-2H3.
What are the key properties of [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine?
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine has a molecular weight of 250.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylpentyl]hydrazine is sourced from PubChem (CID 107895095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).