[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine

C17H26N2O2 — CID 105325543

IUPAC[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCOC3(CCOC3)C2)cc1C
InChIInChI=1S/C17H26N2O2/c1-12-3-4-14(9-13(12)2)16(19-18)15-5-7-21-17(10-15)6-8-20-11-17/h3-4,9,15-16,19H,5-8,10-11,18H2,1-2H3
InChIKeyRCBLTEFVHKLFJR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.39
Rot. Bonds3

About [(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine

[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine (PubChem CID 105325543) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
PubChem CID105325543
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CCOC3(CCOC3)C2)cc1C
InChIInChI=1S/C17H26N2O2/c1-12-3-4-14(9-13(12)2)16(19-18)15-5-7-21-17(10-15)6-8-20-11-17/h3-4,9,15-16,19H,5-8,10-11,18H2,1-2H3
InChIKeyRCBLTEFVHKLFJR-UHFFFAOYSA-N
XLogP2.39
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.39
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
[2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105325620
[(2,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325558
[2,6-dioxaspiro[4.5]decan-9-yl-(3-methoxyphenyl)methyl]hydrazine
CID 105191848
1-(4-chloro-3-methylphenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017166
[(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325550
[2,6-dioxaspiro[4.5]decan-9-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105325556
[(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106860109
[(2-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325647
[(4-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193249
[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106694620
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106755659

Frequently Asked Questions

What is the IUPAC name of [(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The IUPAC name of [(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine (CID 105325543) is [(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine.
What is the SMILES notation for [(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The canonical SMILES for [(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine is Cc1ccc(C(NN)C2CCOC3(CCOC3)C2)cc1C.
What is the InChIKey of [(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
The InChIKey is RCBLTEFVHKLFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-3-4-14(9-13(12)2)16(19-18)15-5-7-21-17(10-15)6-8-20-11-17/h3-4,9,15-16,19H,5-8,10-11,18H2,1-2H3.
What are the key properties of [(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine?
[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine has a molecular weight of 290.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine is sourced from PubChem (CID 105325543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).