8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene

C20H33N — CID 130370964

IUPAC8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene
SMILESC=C/C=C\C1=C(C)CC(CCCC)C2(CCN(C)CC2)C1
InChIInChI=1S/C20H33N/c1-5-7-9-18-16-20(11-13-21(4)14-12-20)19(10-8-6-2)15-17(18)3/h5,7,9,19H,1,6,8,10-16H2,2-4H3/b9-7-
InChIKeyZYEDZNJTGCUFTQ-CLFYSBASSA-N
MW287.49 g/mol
LogP5.36
Rot. Bonds5

About 8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene

8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene (PubChem CID 130370964) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene.

Molecular Properties

Compound Name8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene
PubChem CID130370964
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene
SMILESC=C/C=C\C1=C(C)CC(CCCC)C2(CCN(C)CC2)C1
InChIInChI=1S/C20H33N/c1-5-7-9-18-16-20(11-13-21(4)14-12-20)19(10-8-6-2)15-17(18)3/h5,7,9,19H,1,6,8,10-16H2,2-4H3/b9-7-
InChIKeyZYEDZNJTGCUFTQ-CLFYSBASSA-N
XLogP5.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene with MolForge

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Related Compounds

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Xestoproxamine C, (rel)-
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Xestoproxamine A, (rel)-
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Xestoproxamine B, (rel)-
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(4Z,6Z,14S,19Z,21Z,29S,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,6,12,19,21-pentaene
CID 162908492
(12R,13S,27S,29S)-1,16-diazatetracyclo[25.3.1.112,16.013,29]dotriaconta-8,23-diene
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Frequently Asked Questions

What is the IUPAC name of 8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene?
The IUPAC name of 8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene (CID 130370964) is 8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene.
What is the SMILES notation for 8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene?
The canonical SMILES for 8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene is C=C/C=C\C1=C(C)CC(CCCC)C2(CCN(C)CC2)C1.
What is the InChIKey of 8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene?
The InChIKey is ZYEDZNJTGCUFTQ-CLFYSBASSA-N. The full InChI is InChI=1S/C20H33N/c1-5-7-9-18-16-20(11-13-21(4)14-12-20)19(10-8-6-2)15-17(18)3/h5,7,9,19H,1,6,8,10-16H2,2-4H3/b9-7-.
What are the key properties of 8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene?
8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene has a molecular weight of 287.49 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1Z)-buta-1,3-dienyl]-11-butyl-3,9-dimethyl-3-azaspiro[5.5]undec-8-ene is sourced from PubChem (CID 130370964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).