4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene

C14H20N2 — CID 91342279

IUPAC4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene
SMILESC=C/C=C\C1=C(C)N=C(C)C12CCNCC2
InChIInChI=1S/C14H20N2/c1-4-5-6-13-11(2)16-12(3)14(13)7-9-15-10-8-14/h4-6,15H,1,7-10H2,2-3H3/b6-5-
InChIKeyXXBISWUQBODDSV-WAYWQWQTSA-N
MW216.33 g/mol
LogP2.85
Rot. Bonds2

About 4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene

4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene (PubChem CID 91342279) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene
PubChem CID91342279
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene
SMILESC=C/C=C\C1=C(C)N=C(C)C12CCNCC2
InChIInChI=1S/C14H20N2/c1-4-5-6-13-11(2)16-12(3)14(13)7-9-15-10-8-14/h4-6,15H,1,7-10H2,2-3H3/b6-5-
InChIKeyXXBISWUQBODDSV-WAYWQWQTSA-N
XLogP2.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene with MolForge

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Related Compounds

4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene
CID 143498263
(4E)-4-fluoro-N-[1-(4-methyliminopiperidin-3-ylidene)ethyl]hepta-4,6-dien-2-amine
CID 163607220
2-Methyl-2-piperidin-4-ylbenzimidazole
CID 21268299
Spiro[1-benzazepine-4,3'-piperidine]
CID 67456382
3-[(1Z,3Z)-penta-1,3-dienyl]-2,8-diazaspiro[4.5]dec-3-ene
CID 89257142
Spiro[indene-2,4'-piperidine]-1-amine
CID 135338919
5-methyl-2-piperidin-4-yl-3H-azepine
CID 142941013
3,4-Bis(ethenyl)-8-(2-methylprop-2-enyl)-2,8-diazaspiro[4.5]dec-3-ene
CID 143074040
3,4-Dimethyl-2,8-diazaspiro[4.5]dec-3-ene;prop-1-ene
CID 143191004
Spiro[1,2,6,7-tetrahydroindole-3,4'-piperidine]
CID 143386504
ethane;(3Z)-N-methyl-3-propylidene-8-azaspiro[4.5]dec-1-en-4-imine
CID 143423157
Spiro[1,2,6,7-tetrahydroindol-1-ium-3,4'-piperidine]
CID 143617051

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene (CID 91342279) is 4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene is C=C/C=C\C1=C(C)N=C(C)C12CCNCC2.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene?
The InChIKey is XXBISWUQBODDSV-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-5-6-13-11(2)16-12(3)14(13)7-9-15-10-8-14/h4-6,15H,1,7-10H2,2-3H3/b6-5-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene?
4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene has a molecular weight of 216.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-1,3-dimethyl-2,8-diazaspiro[4.5]deca-1,3-diene is sourced from PubChem (CID 91342279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).