(2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine

C22H36N2 — CID 155315991

IUPAC(2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine
SMILES[H]/N=C/C(C)=C\C(C)=C(C)\C(=C\C=C(\CCCCC)N=C)C(C)CC
InChIInChI=1S/C22H36N2/c1-8-10-11-12-21(24-7)13-14-22(18(4)9-2)20(6)19(5)15-17(3)16-23/h13-16,18,23H,7-12H2,1-6H3/b17-15-,20-19+,21-13-,22-14+,23-16+
InChIKeyNDGNPYHNROALSS-PSXJHTSKSA-N
MW328.54 g/mol
LogP7.06
Rot. Bonds11

About (2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine

(2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine (PubChem CID 155315991) has the molecular formula C22H36N2 and a molecular weight of 328.54 g/mol. Its IUPAC name is (2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine.

Molecular Properties

Compound Name(2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine
PubChem CID155315991
Molecular FormulaC22H36N2
Molecular Weight328.54 g/mol
Exact Mass328.29
IUPAC Name(2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine
SMILES[H]/N=C/C(C)=C\C(C)=C(C)\C(=C\C=C(\CCCCC)N=C)C(C)CC
InChIInChI=1S/C22H36N2/c1-8-10-11-12-21(24-7)13-14-22(18(4)9-2)20(6)19(5)15-17(3)16-23/h13-16,18,23H,7-12H2,1-6H3/b17-15-,20-19+,21-13-,22-14+,23-16+
InChIKeyNDGNPYHNROALSS-PSXJHTSKSA-N
XLogP7.06
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine?
The IUPAC name of (2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine (CID 155315991) is (2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine.
What is the SMILES notation for (2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine?
The canonical SMILES for (2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine is [H]/N=C/C(C)=C\C(C)=C(C)\C(=C\C=C(\CCCCC)N=C)C(C)CC.
What is the InChIKey of (2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine?
The InChIKey is NDGNPYHNROALSS-PSXJHTSKSA-N. The full InChI is InChI=1S/C22H36N2/c1-8-10-11-12-21(24-7)13-14-22(18(4)9-2)20(6)19(5)15-17(3)16-23/h13-16,18,23H,7-12H2,1-6H3/b17-15-,20-19+,21-13-,22-14+,23-16+.
What are the key properties of (2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine?
(2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine has a molecular weight of 328.54 g/mol, XLogP of 7.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E,8Z)-6-butan-2-yl-2,4,5-trimethyl-9-N-methylidenetetradeca-2,4,6,8-tetraene-1,9-diimine is sourced from PubChem (CID 155315991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).