3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene

C15H23N — CID 123471157

IUPAC3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene
SMILESC=CC=CC1=C(C)C2(CC1)CCN(C)CC2
InChIInChI=1S/C15H23N/c1-4-5-6-14-7-8-15(13(14)2)9-11-16(3)12-10-15/h4-6H,1,7-12H2,2-3H3
InChIKeyXOHBHXUADVMTIF-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.55
Rot. Bonds2

About 3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene

3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene (PubChem CID 123471157) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene
PubChem CID123471157
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene
SMILESC=CC=CC1=C(C)C2(CC1)CCN(C)CC2
InChIInChI=1S/C15H23N/c1-4-5-6-14-7-8-15(13(14)2)9-11-16(3)12-10-15/h4-6H,1,7-12H2,2-3H3
InChIKeyXOHBHXUADVMTIF-UHFFFAOYSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-methylpiperidine
CID 118422995
4-[1-(4-Fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-1-methylpiperidine
CID 129131717
4-(2-Fluorocyclohepta-1,4,6-trien-1-yl)-1,4-dimethylpiperidine
CID 130238797
(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
CID 134292242
4-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]-1-methylpiperidine
CID 134365607
4-(4-Fluorocyclohepta-1,3,5-trien-1-yl)-1-methylpiperidine
CID 134365673
3-[(3E,5Z)-3,7-difluorohepta-3,5-dienyl]-1-methylpiperidine
CID 144302448
4-[3-(4-Fluorocyclohexa-1,5-dien-1-yl)-2,3-dimethylbutan-2-yl]-1-methylpiperidine
CID 169637028
(2E)-2-(fluoromethylidene)-3,4,8-trimethyl-8-azaspiro[4.5]dec-3-ene
CID 177161653
1-[(E)-2-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]ethenyl]piperidine
CID 88423161
1-[(E)-2-(6,6-dimethylcyclohexen-1-yl)ethenyl]pyrrolidine
CID 10081695

Frequently Asked Questions

What is the IUPAC name of 3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene (CID 123471157) is 3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene is C=CC=CC1=C(C)C2(CC1)CCN(C)CC2.
What is the InChIKey of 3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene?
The InChIKey is XOHBHXUADVMTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-5-6-14-7-8-15(13(14)2)9-11-16(3)12-10-15/h4-6H,1,7-12H2,2-3H3.
What are the key properties of 3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene?
3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene has a molecular weight of 217.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-buta-1,3-dienyl-4,8-dimethyl-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 123471157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).