(2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine

C18H28N2 — CID 167045478

IUPAC(2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine
SMILES[H]/N=C(/C=C\C=C\C=C(C)/C=C(\C=N\C)C(C)C)C(C)C
InChIInChI=1S/C18H28N2/c1-14(2)17(13-20-6)12-16(5)10-8-7-9-11-18(19)15(3)4/h7-15,19H,1-6H3/b8-7+,11-9-,16-10-,17-12+,19-18-,20-13+
InChIKeyOMJULOQENLNJIN-ZRADMPMBSA-N
MW272.44 g/mol
LogP5.00
Rot. Bonds7

About (2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine

(2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine (PubChem CID 167045478) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine.

Molecular Properties

Compound Name(2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine
PubChem CID167045478
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine
SMILES[H]/N=C(/C=C\C=C\C=C(C)/C=C(\C=N\C)C(C)C)C(C)C
InChIInChI=1S/C18H28N2/c1-14(2)17(13-20-6)12-16(5)10-8-7-9-11-18(19)15(3)4/h7-15,19H,1-6H3/b8-7+,11-9-,16-10-,17-12+,19-18-,20-13+
InChIKeyOMJULOQENLNJIN-ZRADMPMBSA-N
XLogP5.00
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine?
The IUPAC name of (2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine (CID 167045478) is (2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine.
What is the SMILES notation for (2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine?
The canonical SMILES for (2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine is [H]/N=C(/C=C\C=C\C=C(C)/C=C(\C=N\C)C(C)C)C(C)C.
What is the InChIKey of (2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine?
The InChIKey is OMJULOQENLNJIN-ZRADMPMBSA-N. The full InChI is InChI=1S/C18H28N2/c1-14(2)17(13-20-6)12-16(5)10-8-7-9-11-18(19)15(3)4/h7-15,19H,1-6H3/b8-7+,11-9-,16-10-,17-12+,19-18-,20-13+.
What are the key properties of (2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine?
(2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine has a molecular weight of 272.44 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E,8Z)-1-N,4,11-trimethyl-2-propan-2-yldodeca-2,4,6,8-tetraene-1,10-diimine is sourced from PubChem (CID 167045478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).