[1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine

C15H24N4O2 — CID 105261454

IUPAC[1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine
SMILESCc1cnc(C(NN)C2CCOC3(CCOCC3)C2)nc1
InChIInChI=1S/C15H24N4O2/c1-11-9-17-14(18-10-11)13(19-16)12-2-5-21-15(8-12)3-6-20-7-4-15/h9-10,12-13,19H,2-8,16H2,1H3
InChIKeyLLPCGCARWZLABL-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.27
Rot. Bonds3

About [1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine

[1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine (PubChem CID 105261454) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine
PubChem CID105261454
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine
SMILESCc1cnc(C(NN)C2CCOC3(CCOCC3)C2)nc1
InChIInChI=1S/C15H24N4O2/c1-11-9-17-14(18-10-11)13(19-16)12-2-5-21-15(8-12)3-6-20-7-4-15/h9-10,12-13,19H,2-8,16H2,1H3
InChIKeyLLPCGCARWZLABL-UHFFFAOYSA-N
XLogP1.27
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279773
4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine
CID 105231085
[(5-bromofuran-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323283
[(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
[(3-chloro-4-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323264
[(3,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325543
[(2,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325558
[(2,5-dimethylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]hydrazine
CID 105322196
[2,6-dioxaspiro[4.5]decan-9-yl-(6-methoxypyrimidin-4-yl)methyl]hydrazine
CID 102953442
[(4-methyl-2-pyridinyl)-(1-oxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105220110
[(3-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325550

Frequently Asked Questions

What is the IUPAC name of [1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine?
The IUPAC name of [1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine (CID 105261454) is [1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine.
What is the SMILES notation for [1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine?
The canonical SMILES for [1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine is Cc1cnc(C(NN)C2CCOC3(CCOCC3)C2)nc1.
What is the InChIKey of [1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine?
The InChIKey is LLPCGCARWZLABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-9-17-14(18-10-11)13(19-16)12-2-5-21-15(8-12)3-6-20-7-4-15/h9-10,12-13,19H,2-8,16H2,1H3.
What are the key properties of [1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine?
[1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine has a molecular weight of 292.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,9-dioxaspiro[5.5]undecan-4-yl-(5-methylpyrimidin-2-yl)methyl]hydrazine is sourced from PubChem (CID 105261454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).