3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane

C12H22N2 — CID 139379367

IUPAC3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane
SMILESC=CC1N(CC(C)C)CC12CCCN2
InChIInChI=1S/C12H22N2/c1-4-11-12(6-5-7-13-12)9-14(11)8-10(2)3/h4,10-11,13H,1,5-9H2,2-3H3
InChIKeyXOYRHXQMWPYNND-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.63
Rot. Bonds3

About 3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane

3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane (PubChem CID 139379367) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane.

Molecular Properties

Compound Name3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane
PubChem CID139379367
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane
SMILESC=CC1N(CC(C)C)CC12CCCN2
InChIInChI=1S/C12H22N2/c1-4-11-12(6-5-7-13-12)9-14(11)8-10(2)3/h4,10-11,13H,1,5-9H2,2-3H3
InChIKeyXOYRHXQMWPYNND-UHFFFAOYSA-N
XLogP1.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane?
The IUPAC name of 3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane (CID 139379367) is 3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane.
What is the SMILES notation for 3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane?
The canonical SMILES for 3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane is C=CC1N(CC(C)C)CC12CCCN2.
What is the InChIKey of 3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane?
The InChIKey is XOYRHXQMWPYNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-11-12(6-5-7-13-12)9-14(11)8-10(2)3/h4,10-11,13H,1,5-9H2,2-3H3.
What are the key properties of 3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane?
3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane has a molecular weight of 194.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-(2-methylpropyl)-2,5-diazaspiro[3.4]octane is sourced from PubChem (CID 139379367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).