1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane

C20H36N2 — CID 44514516

IUPAC1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCCNCC1
InChIInChI=1S/C20H36N2/c1-18(2)8-5-9-19(3)10-6-11-20(4)12-16-22-15-7-13-21-14-17-22/h8,10,12,21H,5-7,9,11,13-17H2,1-4H3/b19-10+,20-12+
InChIKeySTLGXMYFZUWKFE-FIOGTWENSA-N
MW304.52 g/mol
LogP4.70
Rot. Bonds8

About 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane

1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane (PubChem CID 44514516) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane
PubChem CID44514516
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCCNCC1
InChIInChI=1S/C20H36N2/c1-18(2)8-5-9-19(3)10-6-11-20(4)12-16-22-15-7-13-21-14-17-22/h8,10,12,21H,5-7,9,11,13-17H2,1-4H3/b19-10+,20-12+
InChIKeySTLGXMYFZUWKFE-FIOGTWENSA-N
XLogP4.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2Z)-3,7-dimethylocta-2,6-dienyl]piperazine
CID 70588103
1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine
CID 2059248
1-[(3E)-3-methylocta-3,7-dienyl]-1,4-diazepane
CID 129253878
(2E,6E,10E)-3,7,11,15-tetramethyl-1-piperazin-1-ylhexadeca-2,6,10,14-tetraen-1-one
CID 70430197
(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
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
1-[(Z)-3-methoxybut-2-enyl]piperazine
CID 166729699
1-[(E)-5,5,5-trifluoro-3-methylpent-2-enyl]piperazine
CID 90110608
5,9,13,17-tetramethyl-1-(2-methylpiperazin-1-yl)octadeca-4,8,12,16-tetraen-1-one
CID 70471801
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;2-methyloxaziridine
CID 20839770
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane?
The IUPAC name of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane (CID 44514516) is 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane.
What is the SMILES notation for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane?
The canonical SMILES for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane is CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1CCCNCC1.
What is the InChIKey of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane?
The InChIKey is STLGXMYFZUWKFE-FIOGTWENSA-N. The full InChI is InChI=1S/C20H36N2/c1-18(2)8-5-9-19(3)10-6-11-20(4)12-16-22-15-7-13-21-14-17-22/h8,10,12,21H,5-7,9,11,13-17H2,1-4H3/b19-10+,20-12+.
What are the key properties of 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane?
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane has a molecular weight of 304.52 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane is sourced from PubChem (CID 44514516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).