[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine

C15H24N2O — CID 114984660

IUPAC[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine
SMILESCCC(C)C(CC1OCCc2ccccc21)NN
InChIInChI=1S/C15H24N2O/c1-3-11(2)14(17-16)10-15-13-7-5-4-6-12(13)8-9-18-15/h4-7,11,14-15,17H,3,8-10,16H2,1-2H3
InChIKeyGQYMGGJDGCZAPK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.57
Rot. Bonds5

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

[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine (PubChem CID 114984660) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine
PubChem CID114984660
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine
SMILESCCC(C)C(CC1OCCc2ccccc21)NN
InChIInChI=1S/C15H24N2O/c1-3-11(2)14(17-16)10-15-13-7-5-4-6-12(13)8-9-18-15/h4-7,11,14-15,17H,3,8-10,16H2,1-2H3
InChIKeyGQYMGGJDGCZAPK-UHFFFAOYSA-N
XLogP2.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methylsulfonylbutan-2-yl]hydrazine
CID 114985283
[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-ylsulfanylpropan-2-yl]hydrazine
CID 114984696
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methoxy-N-methylpentan-2-amine
CID 116715381
[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-yl]hydrazine
CID 105219620
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylhexan-2-amine
CID 114983674
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 114985326
1-(3,4-dihydro-1H-isochromen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 114984419
1-(3,4-dihydro-1H-isochromen-1-yl)-3-ethoxypentan-2-amine
CID 116716259
[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 114985281
3-(3,4-dihydro-1H-isochromen-1-ylmethyl)pentan-2-one
CID 79428811
N-[1-(3,4-dihydro-1H-isochromen-1-yl)propan-2-yl]-2-methylpropan-2-amine
CID 14141282

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine (CID 114984660) is [1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine is CCC(C)C(CC1OCCc2ccccc21)NN.
What is the InChIKey of [1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine?
The InChIKey is GQYMGGJDGCZAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-11(2)14(17-16)10-15-13-7-5-4-6-12(13)8-9-18-15/h4-7,11,14-15,17H,3,8-10,16H2,1-2H3.
What are the key properties of [1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine?
[1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine has a molecular weight of 248.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylpentan-2-yl]hydrazine is sourced from PubChem (CID 114984660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).