[1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine

C13H26N2O — CID 102650293

IUPAC[1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine
SMILESCCCCC(CC)C(NN)C1=CCCCO1
InChIInChI=1S/C13H26N2O/c1-3-5-8-11(4-2)13(15-14)12-9-6-7-10-16-12/h9,11,13,15H,3-8,10,14H2,1-2H3
InChIKeyIJTOYQLJAJAGEK-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.73
Rot. Bonds7

About [1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine

[1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine (PubChem CID 102650293) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine
PubChem CID102650293
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine
SMILESCCCCC(CC)C(NN)C1=CCCCO1
InChIInChI=1S/C13H26N2O/c1-3-5-8-11(4-2)13(15-14)12-9-6-7-10-16-12/h9,11,13,15H,3-8,10,14H2,1-2H3
InChIKeyIJTOYQLJAJAGEK-UHFFFAOYSA-N
XLogP2.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.73
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

[(4,4-difluorocyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102650320
[3,4-dihydro-2H-pyran-6-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 102650321
[3,4-dihydro-2H-pyran-6-yl-[2-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 102650340
[3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 102650378
[(4,4-Difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]hydrazine
CID 102654507
[2,3-Dihydrofuran-5-yl-[4-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 102654508
[2,3-Dihydrofuran-5-yl-[2-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 102654527
3-(4,5,6-trimethyl-4H-pyran-2-yl)heptylhydrazine
CID 123746046
cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647236
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexan-1-amine
CID 102648771
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-1-amine
CID 102649195
1-(3,4-dihydro-2H-pyran-6-yl)-2-propylpentan-1-amine
CID 102649311

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine?
The IUPAC name of [1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine (CID 102650293) is [1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine.
What is the SMILES notation for [1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine?
The canonical SMILES for [1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine is CCCCC(CC)C(NN)C1=CCCCO1.
What is the InChIKey of [1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine?
The InChIKey is IJTOYQLJAJAGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-5-8-11(4-2)13(15-14)12-9-6-7-10-16-12/h9,11,13,15H,3-8,10,14H2,1-2H3.
What are the key properties of [1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine?
[1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylhexyl]hydrazine has a molecular weight of 226.36 g/mol, XLogP of 2.73, 7 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-pyran-6-yl)-2-ethylhexyl]hydrazine is sourced from PubChem (CID 102650293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).