[(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium

C18H28N+ — CID 170210374

IUPAC[(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium
SMILESC=C/C(=C/[N+](C)=C/CC)C/C=C/C(C)=C/C/C=C\C
InChIInChI=1S/C18H28N/c1-6-9-10-12-17(4)13-11-14-18(8-3)16-19(5)15-7-2/h6,8-9,11-13,15-16H,3,7,10,14H2,1-2,4-5H3/q+1/b9-6-,13-11+,17-12+,18-16-,19-15+
InChIKeyDYXZDNUKZFHUSK-QAYRLNMHSA-N
MW258.43 g/mol
LogP5.04
Rot. Bonds8

About [(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium

[(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium (PubChem CID 170210374) has the molecular formula C18H28N+ and a molecular weight of 258.43 g/mol. Its IUPAC name is [(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium.

Molecular Properties

Compound Name[(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium
PubChem CID170210374
Molecular FormulaC18H28N+
Molecular Weight258.43 g/mol
Exact Mass258.22
IUPAC Name[(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium
SMILESC=C/C(=C/[N+](C)=C/CC)C/C=C/C(C)=C/C/C=C\C
InChIInChI=1S/C18H28N/c1-6-9-10-12-17(4)13-11-14-18(8-3)16-19(5)15-7-2/h6,8-9,11-13,15-16H,3,7,10,14H2,1-2,4-5H3/q+1/b9-6-,13-11+,17-12+,18-16-,19-15+
InChIKeyDYXZDNUKZFHUSK-QAYRLNMHSA-N
XLogP5.04
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium?
The IUPAC name of [(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium (CID 170210374) is [(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium.
What is the SMILES notation for [(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium?
The canonical SMILES for [(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium is C=C/C(=C/[N+](C)=C/CC)C/C=C/C(C)=C/C/C=C\C.
What is the InChIKey of [(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium?
The InChIKey is DYXZDNUKZFHUSK-QAYRLNMHSA-N. The full InChI is InChI=1S/C18H28N/c1-6-9-10-12-17(4)13-11-14-18(8-3)16-19(5)15-7-2/h6,8-9,11-13,15-16H,3,7,10,14H2,1-2,4-5H3/q+1/b9-6-,13-11+,17-12+,18-16-,19-15+.
What are the key properties of [(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium?
[(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium has a molecular weight of 258.43 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,4E,6E,9Z)-2-ethenyl-6-methylundeca-1,4,6,9-tetraenyl]-methyl-propylideneazanium is sourced from PubChem (CID 170210374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).