[1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine

C16H25N3O2 — CID 105279773

IUPAC[1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine
SMILESCc1ccncc1C(NN)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H25N3O2/c1-12-2-6-18-11-14(12)15(19-17)13-3-7-21-16(10-13)4-8-20-9-5-16/h2,6,11,13,15,19H,3-5,7-10,17H2,1H3
InChIKeyBSLWMXFYGGFFFD-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.87
Rot. Bonds3

About [1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine

[1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine (PubChem CID 105279773) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is [1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine
PubChem CID105279773
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name[1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine
SMILESCc1ccncc1C(NN)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C16H25N3O2/c1-12-2-6-18-11-14(12)15(19-17)13-3-7-21-16(10-13)4-8-20-9-5-16/h2,6,11,13,15,19H,3-5,7-10,17H2,1H3
InChIKeyBSLWMXFYGGFFFD-UHFFFAOYSA-N
XLogP1.87
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105279930
[(3-chloro-4-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323264
[2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105258737
[1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine
CID 105261454
4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine
CID 105231085
[(2,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325558
[(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326042
[(2,3-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322135
[6-oxaspiro[4.5]decan-9-yl(pyridin-3-yl)methyl]hydrazine
CID 105196290
[(2,5-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322196
[(4,5-dimethylthiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323230
[(4-chlorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105193249

Frequently Asked Questions

What is the IUPAC name of [1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine (CID 105279773) is [1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine is Cc1ccncc1C(NN)C1CCOC2(CCOCC2)C1.
What is the InChIKey of [1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine?
The InChIKey is BSLWMXFYGGFFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-2-6-18-11-14(12)15(19-17)13-3-7-21-16(10-13)4-8-20-9-5-16/h2,6,11,13,15,19H,3-5,7-10,17H2,1H3.
What are the key properties of [1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine?
[1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine has a molecular weight of 291.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105279773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).