[[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate

C15H29N5O2 — CID 59039949

IUPAC[[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate
SMILESCCC(C)(C)C1CCC2(CC1)OCCC2NO/C=N/N=N/N
InChIInChI=1S/C15H29N5O2/c1-4-14(2,3)12-5-8-15(9-6-12)13(7-10-21-15)18-22-11-17-20-19-16/h11-13,18H,4-10H2,1-3H3,(H2,16,20)/b17-11+
InChIKeyJUKWEMKOVBUPFY-GZTJUZNOSA-N
MW311.43 g/mol
LogP2.93
Rot. Bonds6

About [[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate

[[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate (PubChem CID 59039949) has the molecular formula C15H29N5O2 and a molecular weight of 311.43 g/mol. Its IUPAC name is [[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate.

Molecular Properties

Compound Name[[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate
PubChem CID59039949
Molecular FormulaC15H29N5O2
Molecular Weight311.43 g/mol
Exact Mass311.23
IUPAC Name[[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate
SMILESCCC(C)(C)C1CCC2(CC1)OCCC2NO/C=N/N=N/N
InChIInChI=1S/C15H29N5O2/c1-4-14(2,3)12-5-8-15(9-6-12)13(7-10-21-15)18-22-11-17-20-19-16/h11-13,18H,4-10H2,1-3H3,(H2,16,20)/b17-11+
InChIKeyJUKWEMKOVBUPFY-GZTJUZNOSA-N
XLogP2.93
TPSA93.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate?
The IUPAC name of [[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate (CID 59039949) is [[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate.
What is the SMILES notation for [[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate?
The canonical SMILES for [[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate is CCC(C)(C)C1CCC2(CC1)OCCC2NO/C=N/N=N/N.
What is the InChIKey of [[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate?
The InChIKey is JUKWEMKOVBUPFY-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H29N5O2/c1-4-14(2,3)12-5-8-15(9-6-12)13(7-10-21-15)18-22-11-17-20-19-16/h11-13,18H,4-10H2,1-3H3,(H2,16,20)/b17-11+.
What are the key properties of [[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate?
[[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate has a molecular weight of 311.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[8-(2-methylbutan-2-yl)-1-oxaspiro[4.5]decan-4-yl]amino] (NE,1E)-N-hydrazinylidenemethanehydrazonate is sourced from PubChem (CID 59039949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).