[1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine

C14H22N2O2 — CID 105233846

IUPAC[1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine
SMILESCOCCCC(NN)C1CCOc2ccccc21
InChIInChI=1S/C14H22N2O2/c1-17-9-4-6-13(16-15)11-8-10-18-14-7-3-2-5-12(11)14/h2-3,5,7,11,13,16H,4,6,8-10,15H2,1H3
InChIKeyNQYRDUZJCWCLEC-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.81
Rot. Bonds6

About [1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine

[1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine (PubChem CID 105233846) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine
PubChem CID105233846
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine
SMILESCOCCCC(NN)C1CCOc2ccccc21
InChIInChI=1S/C14H22N2O2/c1-17-9-4-6-13(16-15)11-8-10-18-14-7-3-2-5-12(11)14/h2-3,5,7,11,13,16H,4,6,8-10,15H2,1H3
InChIKeyNQYRDUZJCWCLEC-UHFFFAOYSA-N
XLogP1.81
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)octylhydrazine
CID 105233759
[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-(4-fluorophenyl)ethyl]hydrazine
CID 105233739
(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154
[1-(3,4-dihydro-2H-chromen-4-yl)-2-ethylbutyl]hydrazine
CID 105233719
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine
CID 65409887
3-[2-(3,4-dihydro-2H-chromen-4-yl)-2-hydrazinylethyl]pyridin-2-amine
CID 105233874
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine
CID 115756534
[2-(5-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105233865
[2-(3-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105233880
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 65410083

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine?
The IUPAC name of [1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine (CID 105233846) is [1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine.
What is the SMILES notation for [1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine?
The canonical SMILES for [1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine is COCCCC(NN)C1CCOc2ccccc21.
What is the InChIKey of [1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine?
The InChIKey is NQYRDUZJCWCLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-9-4-6-13(16-15)11-8-10-18-14-7-3-2-5-12(11)14/h2-3,5,7,11,13,16H,4,6,8-10,15H2,1H3.
What are the key properties of [1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine?
[1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine has a molecular weight of 250.34 g/mol, XLogP of 1.81, 6 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-chromen-4-yl)-4-methoxybutyl]hydrazine is sourced from PubChem (CID 105233846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).