ethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene

C15H23N — CID 143703286

IUPACethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene
SMILESC.CC.CC1C=C=C=C=CC/C=N\C/C=C\1
InChIInChI=1S/C12H13N.C2H6.CH4/c1-12-8-5-3-2-4-6-10-13-11-7-9-12;1-2;/h4,7-10,12H,6,11H2,1H3;1-2H3;1H4/b9-7-,13-10-;;
InChIKeyGWXWSQLTRNKHIE-AYGJKDKASA-N
MW217.36 g/mol
LogP4.34
Rot. Bonds

About ethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene

ethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene (PubChem CID 143703286) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is ethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene.

Molecular Properties

Compound Nameethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene
PubChem CID143703286
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Nameethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene
SMILESC.CC.CC1C=C=C=C=CC/C=N\C/C=C\1
InChIInChI=1S/C12H13N.C2H6.CH4/c1-12-8-5-3-2-4-6-10-13-11-7-9-12;1-2;/h4,7-10,12H,6,11H2,1H3;1-2H3;1H4/b9-7-,13-10-;;
InChIKeyGWXWSQLTRNKHIE-AYGJKDKASA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-prop-2-enylpent-3-en-1-imine
CID 101152594
2-methyl-2-pentenal N-allylimine
CID 129747538
(1E)-N-(2-Methylpropyl)pent-4-en-1-imine
CID 13402840
Allyl-(2-methyl-pent-4-enylidene)-amine
CID 13443029
(4Z,8Z)-1-azacyclododeca-4,8,12-triene
CID 20405358
(4Z,8Z)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
CID 20436153
3-Methyl-2,3-dihydropyridine
CID 21471736
(E)-4-methyl-N-propan-2-ylpent-2-en-1-imine
CID 22086824
(4E,8E)-2,2,11-trimethyl-1-azacyclododeca-4,8,12-triene
CID 22811541
3,12,12-Trimethyl-1-aza-1,5,9-cyclododecatriene
CID 53687623
1-Azacyclododeca-4,8,12-triene
CID 53824618
4-Methyl-2,5-dihydropyridine
CID 56986892

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene?
The IUPAC name of ethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene (CID 143703286) is ethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene.
What is the SMILES notation for ethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene?
The canonical SMILES for ethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene is C.CC.CC1C=C=C=C=CC/C=N\C/C=C\1.
What is the InChIKey of ethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene?
The InChIKey is GWXWSQLTRNKHIE-AYGJKDKASA-N. The full InChI is InChI=1S/C12H13N.C2H6.CH4/c1-12-8-5-3-2-4-6-10-13-11-7-9-12;1-2;/h4,7-10,12H,6,11H2,1H3;1-2H3;1H4/b9-7-,13-10-;;.
What are the key properties of ethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene?
ethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene has a molecular weight of 217.36 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(3Z)-5-methyl-1-azacyclododeca-3,6,7,8,9,12-hexaene is sourced from PubChem (CID 143703286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).