1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane

C26H45N — CID 154452544

IUPAC1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane
SMILESCC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)N1CCCCCC1
InChIInChI=1S/C26H45N/c1-22(2)13-11-15-24(5)17-18-26(27-19-9-7-8-10-20-27)21-25(6)16-12-14-23(3)4/h13-14,17,21,26H,7-12,15-16,18-20H2,1-6H3/b24-17+,25-21+
InChIKeyLNOJZIQGHRVZQU-IFNFAZRXSA-N
MW371.65 g/mol
LogP8.01
Rot. Bonds10

About 1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane

1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane (PubChem CID 154452544) has the molecular formula C26H45N and a molecular weight of 371.65 g/mol. Its IUPAC name is 1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane.

Molecular Properties

Compound Name1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane
PubChem CID154452544
Molecular FormulaC26H45N
Molecular Weight371.65 g/mol
Exact Mass371.36
IUPAC Name1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane
SMILESCC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)N1CCCCCC1
InChIInChI=1S/C26H45N/c1-22(2)13-11-15-24(5)17-18-26(27-19-9-7-8-10-20-27)21-25(6)16-12-14-23(3)4/h13-14,17,21,26H,7-12,15-16,18-20H2,1-6H3/b24-17+,25-21+
InChIKeyLNOJZIQGHRVZQU-IFNFAZRXSA-N
XLogP8.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane with MolForge

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Related Compounds

(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 54461369
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
(1S,3E)-1-cyclohexyl-4,8-dimethylnona-3,7-dien-1-amine
CID 124676145
(3E)-4,8-dimethyl-2-morpholin-4-ylnona-3,7-dienenitrile
CID 12781848
(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
CID 10890690
5,9,13-trimethyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)tetradeca-4,8,12-trienoic acid
CID 54509422
(6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol
CID 87169768
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415

Frequently Asked Questions

What is the IUPAC name of 1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane?
The IUPAC name of 1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane (CID 154452544) is 1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane.
What is the SMILES notation for 1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane?
The canonical SMILES for 1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane is CC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)N1CCCCCC1.
What is the InChIKey of 1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane?
The InChIKey is LNOJZIQGHRVZQU-IFNFAZRXSA-N. The full InChI is InChI=1S/C26H45N/c1-22(2)13-11-15-24(5)17-18-26(27-19-9-7-8-10-20-27)21-25(6)16-12-14-23(3)4/h13-14,17,21,26H,7-12,15-16,18-20H2,1-6H3/b24-17+,25-21+.
What are the key properties of 1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane?
1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane has a molecular weight of 371.65 g/mol, XLogP of 8.01, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]azepane is sourced from PubChem (CID 154452544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).