1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine

C15H20N2O — CID 105333523

IUPAC1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)C1OCCc2ccccc21
InChIInChI=1S/C15H20N2O/c1-2-3-4-9-14(17-16)15-13-8-6-5-7-12(13)10-11-18-15/h1,5-8,14-15,17H,3-4,9-11,16H2
InChIKeyGKWUGIUXGJKPOT-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.94
Rot. Bonds5

About 1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine

1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine (PubChem CID 105333523) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine
PubChem CID105333523
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)C1OCCc2ccccc21
InChIInChI=1S/C15H20N2O/c1-2-3-4-9-14(17-16)15-13-8-6-5-7-12(13)10-11-18-15/h1,5-8,14-15,17H,3-4,9-11,16H2
InChIKeyGKWUGIUXGJKPOT-UHFFFAOYSA-N
XLogP1.94
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.94
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-1H-isochromen-1-yl)pentylhydrazine
CID 105293861
[1-(3,4-dihydro-1H-isochromen-1-yl)-4-methylpentyl]hydrazine
CID 105294298
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)hex-5-ynylhydrazine
CID 105224756
1-(3,4-dihydro-1H-isochromen-1-yl)but-3-enylhydrazine
CID 105289693
[1-(3,4-dihydro-1H-isochromen-1-yl)-2-ethoxyethyl]hydrazine
CID 105321323
1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylbut-3-yn-1-amine
CID 105077265
[1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105284785
1-(2,3-dihydro-1-benzofuran-3-yl)hex-5-ynylhydrazine
CID 105262710
2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105135467
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
1-(3,4-dihydro-1H-isochromen-1-yl)heptan-1-amine
CID 105125796

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine?
The IUPAC name of 1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine (CID 105333523) is 1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine.
What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine?
The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine is C#CCCCC(NN)C1OCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine?
The InChIKey is GKWUGIUXGJKPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-3-4-9-14(17-16)15-13-8-6-5-7-12(13)10-11-18-15/h1,5-8,14-15,17H,3-4,9-11,16H2.
What are the key properties of 1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine?
1-(3,4-dihydro-1H-isochromen-1-yl)hex-5-ynylhydrazine has a molecular weight of 244.34 g/mol, XLogP of 1.94, 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)hex-5-ynylhydrazine is sourced from PubChem (CID 105333523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).