2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine

C25H41N — CID 123555712

IUPAC2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine
SMILESC=CCC(=C=NC(=CC)CC(CC)C(C)C(=CCC=CC)C(C)C)CC
InChIInChI=1S/C25H41N/c1-9-14-15-17-25(20(6)7)21(8)23(12-4)18-24(13-5)26-19-22(11-3)16-10-2/h9-10,13-14,17,20-21,23H,2,11-12,15-16,18H2,1,3-8H3
InChIKeyFUDSFAIPNLWUKR-UHFFFAOYSA-N
MW355.61 g/mol
LogP8.07
Rot. Bonds12

About 2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine

2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine (PubChem CID 123555712) has the molecular formula C25H41N and a molecular weight of 355.61 g/mol. Its IUPAC name is 2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine.

Molecular Properties

Compound Name2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine
PubChem CID123555712
Molecular FormulaC25H41N
Molecular Weight355.61 g/mol
Exact Mass355.32
IUPAC Name2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine
SMILESC=CCC(=C=NC(=CC)CC(CC)C(C)C(=CCC=CC)C(C)C)CC
InChIInChI=1S/C25H41N/c1-9-14-15-17-25(20(6)7)21(8)23(12-4)18-24(13-5)26-19-22(11-3)16-10-2/h9-10,13-14,17,20-21,23H,2,11-12,15-16,18H2,1,3-8H3
InChIKeyFUDSFAIPNLWUKR-UHFFFAOYSA-N
XLogP8.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine?
The IUPAC name of 2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine (CID 123555712) is 2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine.
What is the SMILES notation for 2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine?
The canonical SMILES for 2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine is C=CCC(=C=NC(=CC)CC(CC)C(C)C(=CCC=CC)C(C)C)CC.
What is the InChIKey of 2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine?
The InChIKey is FUDSFAIPNLWUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N/c1-9-14-15-17-25(20(6)7)21(8)23(12-4)18-24(13-5)26-19-22(11-3)16-10-2/h9-10,13-14,17,20-21,23H,2,11-12,15-16,18H2,1,3-8H3.
What are the key properties of 2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine?
2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine has a molecular weight of 355.61 g/mol, XLogP of 8.07, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(5-ethyl-6-methyl-7-propan-2-yldodeca-2,7,10-trien-3-yl)penta-1,4-dien-1-imine is sourced from PubChem (CID 123555712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).