[(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine

C16H23BrN2O2 — CID 105325550

IUPAC[(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESCc1cc(Br)cc(C(NN)C2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C16H23BrN2O2/c1-11-6-13(8-14(17)7-11)15(19-18)12-2-4-21-16(9-12)3-5-20-10-16/h6-8,12,15,19H,2-5,9-10,18H2,1H3
InChIKeyBWQZXHFJRVPSTN-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.85
Rot. Bonds3

About [(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine

[(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine (PubChem CID 105325550) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is [(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
PubChem CID105325550
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name[(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESCc1cc(Br)cc(C(NN)C2CCOC3(CCOC3)C2)c1
InChIInChI=1S/C16H23BrN2O2/c1-11-6-13(8-14(17)7-11)15(19-18)12-2-4-21-16(9-12)3-5-20-10-16/h6-8,12,15,19H,2-5,9-10,18H2,1H3
InChIKeyBWQZXHFJRVPSTN-UHFFFAOYSA-N
XLogP2.85
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.85
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

[(4-bromo-3-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325539
[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325543
[(2-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325647
[(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106860109
[(2,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325558
[(3-fluoro-5-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105257533
[2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105325620
[2,6-dioxaspiro[4.5]decan-9-yl-(3-methoxyphenyl)methyl]hydrazine
CID 105191848
[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105325556
[2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
CID 102953442
[(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107970487
[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106694620

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine (CID 105325550) is [(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine is Cc1cc(Br)cc(C(NN)C2CCOC3(CCOC3)C2)c1.
What is the InChIKey of [(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The InChIKey is BWQZXHFJRVPSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-11-6-13(8-14(17)7-11)15(19-18)12-2-4-21-16(9-12)3-5-20-10-16/h6-8,12,15,19H,2-5,9-10,18H2,1H3.
What are the key properties of [(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
[(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine has a molecular weight of 355.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine is sourced from PubChem (CID 105325550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).