2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene

C15H23N — CID 155703007

IUPAC2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene
SMILESC/C=C\C=C/C1=C(C)CC2(CCNCC2)C1
InChIInChI=1S/C15H23N/c1-3-4-5-6-14-12-15(11-13(14)2)7-9-16-10-8-15/h3-6,16H,7-12H2,1-2H3/b4-3-,6-5-
InChIKeyKUDDMIOJFWFPMJ-OUPQRBNQSA-N
MW217.36 g/mol
LogP3.60
Rot. Bonds2

About 2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene

2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene (PubChem CID 155703007) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene
PubChem CID155703007
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene
SMILESC/C=C\C=C/C1=C(C)CC2(CCNCC2)C1
InChIInChI=1S/C15H23N/c1-3-4-5-6-14-12-15(11-13(14)2)7-9-16-10-8-15/h3-6,16H,7-12H2,1-2H3/b4-3-,6-5-
InChIKeyKUDDMIOJFWFPMJ-OUPQRBNQSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Azaspiro[5.5]undec-8-ene
CID 13106448
(S)-3-Allyl-3-ethylpiperidine
CID 53495113
Octahydro-benz[g]isochinoline
CID 129648171
4-[(2E,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]piperidine-4-carbonitrile
CID 89060682
4-Cyclohexa-1,3-dien-1-yl-4-(2,2-difluoroethyl)piperidine
CID 117950631
2-(5-Fluorohexa-1,3,5-trien-3-yl)-7-azaspiro[3.5]non-2-ene
CID 123336996
3-Ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine
CID 123407439
(3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine
CID 134292370
4-[(4E)-5-fluorohepta-4,6-dienyl]piperidine
CID 142871635
4-(2-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine
CID 143792374
3-[(3E,5Z)-3-fluoro-2-methylidenehepta-3,5-dienyl]-3-methylpiperidine
CID 144407199
4-(Cyclohexa-1,3-dien-1-ylmethyl)-4-fluoropiperidine
CID 144477590

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene?
The IUPAC name of 2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene (CID 155703007) is 2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene is C/C=C\C=C/C1=C(C)CC2(CCNCC2)C1.
What is the InChIKey of 2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene?
The InChIKey is KUDDMIOJFWFPMJ-OUPQRBNQSA-N. The full InChI is InChI=1S/C15H23N/c1-3-4-5-6-14-12-15(11-13(14)2)7-9-16-10-8-15/h3-6,16H,7-12H2,1-2H3/b4-3-,6-5-.
What are the key properties of 2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene?
2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene has a molecular weight of 217.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1Z,3Z)-penta-1,3-dienyl]-8-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 155703007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).