(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane

C23H43N — CID 145357021

IUPAC(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane
SMILESCC.CC(C)=CCC/C(C)=C/CN(C)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C21H37N.C2H6/c1-18(2)10-8-12-20(5)14-16-22(7)17-15-21(6)13-9-11-19(3)4;1-2/h10-11,14-15H,8-9,12-13,16-17H2,1-7H3;1-2H3/b20-14+,21-15+;
InChIKeyNJYITJVHWVWUQO-JICTWDTMSA-N
MW333.60 g/mol
LogP7.33
Rot. Bonds10

About (2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane

(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane (PubChem CID 145357021) has the molecular formula C23H43N and a molecular weight of 333.60 g/mol. Its IUPAC name is (2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane.

Molecular Properties

Compound Name(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane
PubChem CID145357021
Molecular FormulaC23H43N
Molecular Weight333.60 g/mol
Exact Mass333.34
IUPAC Name(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane
SMILESCC.CC(C)=CCC/C(C)=C/CN(C)C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C21H37N.C2H6/c1-18(2)10-8-12-20(5)14-16-22(7)17-15-21(6)13-9-11-19(3)4;1-2/h10-11,14-15H,8-9,12-13,16-17H2,1-7H3;1-2H3/b20-14+,21-15+;
InChIKeyNJYITJVHWVWUQO-JICTWDTMSA-N
XLogP7.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.60
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane with MolForge

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Related Compounds

(2E,6E)-N,N,3,7,11-pentamethyldodeca-2,6,10-trien-1-amine
CID 10586730
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(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
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
ethane;(6E,10Z)-2,6,10-trimethyldodeca-2,6,10-triene
CID 143275958
(E)-but-2-enedioic acid;(9E,13E)-2,9,13-trimethyl-15-[methyl(prop-2-enyl)amino]pentadeca-2,9,13-trien-6-one
CID 18434097
(6Z)-1-bromo-3,7,11-trimethyldodeca-2,6,10-triene
CID 88841659
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane?
The IUPAC name of (2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane (CID 145357021) is (2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane.
What is the SMILES notation for (2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane?
The canonical SMILES for (2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane is CC.CC(C)=CCC/C(C)=C/CN(C)C/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane?
The InChIKey is NJYITJVHWVWUQO-JICTWDTMSA-N. The full InChI is InChI=1S/C21H37N.C2H6/c1-18(2)10-8-12-20(5)14-16-22(7)17-15-21(6)13-9-11-19(3)4;1-2/h10-11,14-15H,8-9,12-13,16-17H2,1-7H3;1-2H3/b20-14+,21-15+;.
What are the key properties of (2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane?
(2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane has a molecular weight of 333.60 g/mol, XLogP of 7.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N,3,7-trimethylocta-2,6-dien-1-amine;ethane is sourced from PubChem (CID 145357021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).