3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane

C19H31N — CID 155709835

IUPAC3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane
SMILESC=C/C=C\C1=C(C=C)CC2(CCN(CC)CC2)C1.CC
InChIInChI=1S/C17H25N.C2H6/c1-4-7-8-16-14-17(13-15(16)5-2)9-11-18(6-3)12-10-17;1-2/h4-5,7-8H,1-2,6,9-14H2,3H3;1-2H3/b8-7-;
InChIKeyXOLKKGCAYKDMQU-CFYXSCKTSA-N
MW273.46 g/mol
LogP5.13
Rot. Bonds4

About 3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane

3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane (PubChem CID 155709835) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane
PubChem CID155709835
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane
SMILESC=C/C=C\C1=C(C=C)CC2(CCN(CC)CC2)C1.CC
InChIInChI=1S/C17H25N.C2H6/c1-4-7-8-16-14-17(13-15(16)5-2)9-11-18(6-3)12-10-17;1-2/h4-5,7-8H,1-2,6,9-14H2,3H3;1-2H3/b8-7-;
InChIKeyXOLKKGCAYKDMQU-CFYXSCKTSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane with MolForge

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Related Compounds

3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
3-[(1Z)-buta-1,3-dienyl]-2-methyl-8-azaspiro[4.5]dec-2-ene
CID 155702976
1-[(1E)-buta-1,3-dienyl]-4-ethylpiperazine
CID 118476491
ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane
CID 156749858
potassium;ethane;3-ethyl-3-aza-9-azanidaspiro[5.5]undecane
CID 154678990
1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine
CID 167002240
1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid
CID 163236372
6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-4-iodo-2,3-dihydro-1H-pyrazine
CID 147054119
1-ethyl-4-fluoro-4-iodopiperidine
CID 147786451
1-ethyl-4,4-dimethylpiperidine;hydrate
CID 178113144
8-ethyl-2,8-diazaspiro[4.5]decane
CID 46318290
3-ethyl-9-propan-2-yl-3-azaspiro[5.5]undec-9-ene
CID 170581542

Frequently Asked Questions

What is the IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane (CID 155709835) is 3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane is C=C/C=C\C1=C(C=C)CC2(CCN(CC)CC2)C1.CC.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane?
The InChIKey is XOLKKGCAYKDMQU-CFYXSCKTSA-N. The full InChI is InChI=1S/C17H25N.C2H6/c1-4-7-8-16-14-17(13-15(16)5-2)9-11-18(6-3)12-10-17;1-2/h4-5,7-8H,1-2,6,9-14H2,3H3;1-2H3/b8-7-;.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane?
3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane has a molecular weight of 273.46 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-2-ethenyl-8-ethyl-8-azaspiro[4.5]dec-2-ene;ethane is sourced from PubChem (CID 155709835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).