2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane

C13H24N2 — CID 56718814

IUPAC2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane
SMILESC/C=C(\C)CN1CCC2(CCNCC2)C1
InChIInChI=1S/C13H24N2/c1-3-12(2)10-15-9-6-13(11-15)4-7-14-8-5-13/h3,14H,4-11H2,1-2H3/b12-3+
InChIKeyLANSVSBSOCYJIZ-KGVSQERTSA-N
MW208.35 g/mol
LogP2.03
Rot. Bonds2

About 2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane

2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane (PubChem CID 56718814) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane
PubChem CID56718814
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane
SMILESC/C=C(\C)CN1CCC2(CCNCC2)C1
InChIInChI=1S/C13H24N2/c1-3-12(2)10-15-9-6-13(11-15)4-7-14-8-5-13/h3,14H,4-11H2,1-2H3/b12-3+
InChIKeyLANSVSBSOCYJIZ-KGVSQERTSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.03
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 2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane (CID 56718814) is 2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane is C/C=C(\C)CN1CCC2(CCNCC2)C1.
What is the InChIKey of 2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is LANSVSBSOCYJIZ-KGVSQERTSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-12(2)10-15-9-6-13(11-15)4-7-14-8-5-13/h3,14H,4-11H2,1-2H3/b12-3+.
What are the key properties of 2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane?
2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 208.35 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methylbut-2-enyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 56718814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).