1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine

C17H28N2O — CID 105233759

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine
SMILESCCCCCCCC(NN)C1CCOc2ccccc21
InChIInChI=1S/C17H28N2O/c1-2-3-4-5-6-10-16(19-18)14-12-13-20-17-11-8-7-9-15(14)17/h7-9,11,14,16,19H,2-6,10,12-13,18H2,1H3
InChIKeyLKAFVKHJSVWFBY-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.75
Rot. Bonds8

About 1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine

1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine (PubChem CID 105233759) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine
PubChem CID105233759
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine
SMILESCCCCCCCC(NN)C1CCOc2ccccc21
InChIInChI=1S/C17H28N2O/c1-2-3-4-5-6-10-16(19-18)14-12-13-20-17-11-8-7-9-15(14)17/h7-9,11,14,16,19H,2-6,10,12-13,18H2,1H3
InChIKeyLKAFVKHJSVWFBY-UHFFFAOYSA-N
XLogP3.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine
CID 65409887
[1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine
CID 105233846
[1-(3,4-dihydro-2H-chromen-4-yl)-3-methylsulfonylpropyl]hydrazine
CID 114984739
[1-(3,4-dihydro-2H-chromen-4-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105233876
[1-(3,4-dihydro-2H-chromen-4-yl)-2-ethylbutyl]hydrazine
CID 105233719
[1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105233739
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine
CID 65409497
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 65410083
3-[2-(3,4-dihydro-2H-chromen-4-yl)-2-hydrazinylethyl]pyridin-2-amine
CID 105233874
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-amine
CID 107893468
[2-(5-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105233865

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine (CID 105233759) is 1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine is CCCCCCCC(NN)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine?
The InChIKey is LKAFVKHJSVWFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-3-4-5-6-10-16(19-18)14-12-13-20-17-11-8-7-9-15(14)17/h7-9,11,14,16,19H,2-6,10,12-13,18H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine?
1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine has a molecular weight of 276.42 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine is sourced from PubChem (CID 105233759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).