[(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine

C17H26N2O — CID 105322135

IUPAC[(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
SMILESCc1cccc(C(NN)C2CCOC3(CCC3)C2)c1C
InChIInChI=1S/C17H26N2O/c1-12-5-3-6-15(13(12)2)16(19-18)14-7-10-20-17(11-14)8-4-9-17/h3,5-6,14,16,19H,4,7-11,18H2,1-2H3
InChIKeyOODFPQBQHJZGRQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.16
Rot. Bonds3

About [(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine

[(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine (PubChem CID 105322135) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
PubChem CID105322135
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
SMILESCc1cccc(C(NN)C2CCOC3(CCC3)C2)c1C
InChIInChI=1S/C17H26N2O/c1-12-5-3-6-15(13(12)2)16(19-18)14-7-10-20-17(11-14)8-4-9-17/h3,5-6,14,16,19H,4,7-11,18H2,1-2H3
InChIKeyOODFPQBQHJZGRQ-UHFFFAOYSA-N
XLogP3.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.16
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

[(2,5-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322196
[(2-iodophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322205
(2,3-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79913941
[(4-methyl-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105279930
2-[hydrazinyl(1-oxaspiro[5.5]undecan-4-yl)methyl]aniline
CID 105223968
[(4-fluoro-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105256747
[(3-chloro-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105223476
[(3-bromo-2-fluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107954284
(2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79915466
N-[(2-fluoro-3-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 105010288
[1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279773
[(2,5-dibromophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322235

Frequently Asked Questions

What is the IUPAC name of [(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
The IUPAC name of [(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine (CID 105322135) is [(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine.
What is the SMILES notation for [(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
The canonical SMILES for [(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine is Cc1cccc(C(NN)C2CCOC3(CCC3)C2)c1C.
What is the InChIKey of [(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
The InChIKey is OODFPQBQHJZGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-5-3-6-15(13(12)2)16(19-18)14-7-10-20-17(11-14)8-4-9-17/h3,5-6,14,16,19H,4,7-11,18H2,1-2H3.
What are the key properties of [(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine?
[(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine has a molecular weight of 274.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine is sourced from PubChem (CID 105322135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).