[1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine

C16H26N2O2 — CID 114985326

IUPAC[1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
SMILESCC(C)(C)OCC(CC1OCCc2ccccc21)NN
InChIInChI=1S/C16H26N2O2/c1-16(2,3)20-11-13(18-17)10-15-14-7-5-4-6-12(14)8-9-19-15/h4-7,13,15,18H,8-11,17H2,1-3H3
InChIKeyNYXSXTZOJNVNLG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.34
Rot. Bonds5

About [1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine

[1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine (PubChem CID 114985326) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
PubChem CID114985326
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
SMILESCC(C)(C)OCC(CC1OCCc2ccccc21)NN
InChIInChI=1S/C16H26N2O2/c1-16(2,3)20-11-13(18-17)10-15-14-7-5-4-6-12(14)8-9-19-15/h4-7,13,15,18H,8-11,17H2,1-3H3
InChIKeyNYXSXTZOJNVNLG-UHFFFAOYSA-N
XLogP2.34
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.34
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-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 114984434
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
CID 114984696
[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 114985281
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine
CID 114984660
N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine
CID 14141282
1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxy-3-methylpentan-2-amine
CID 116758470
[1-cyclopropyl-3-(3,4-dihydro-1H-isochromen-1-yl)-1-ethoxypropan-2-yl]hydrazine
CID 114984946
1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 114984419
[1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine
CID 114984729
1-(3,4-dihydro-1H-isochromen-1-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132060
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylsulfonylbutan-2-yl]hydrazine
CID 114985283
3-(3,4-dihydro-1H-isochromen-1-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093089

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine (CID 114985326) is [1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine is CC(C)(C)OCC(CC1OCCc2ccccc21)NN.
What is the InChIKey of [1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine?
The InChIKey is NYXSXTZOJNVNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)20-11-13(18-17)10-15-14-7-5-4-6-12(14)8-9-19-15/h4-7,13,15,18H,8-11,17H2,1-3H3.
What are the key properties of [1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine?
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine has a molecular weight of 278.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine is sourced from PubChem (CID 114985326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).