N-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine

C11H19N — CID 142913207

IUPACN-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine
SMILESC/C=C\CC/C=C(\C)C/N=C/C
InChIInChI=1S/C11H19N/c1-4-6-7-8-9-11(3)10-12-5-2/h4-6,9H,7-8,10H2,1-3H3/b6-4-,11-9+,12-5+
InChIKeyRSULLEYICRFOKL-CQYGKZTESA-N
MW165.28 g/mol
LogP3.38
Rot. Bonds5

About N-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine

N-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine (PubChem CID 142913207) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine
PubChem CID142913207
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine
SMILESC/C=C\CC/C=C(\C)C/N=C/C
InChIInChI=1S/C11H19N/c1-4-6-7-8-9-11(3)10-12-5-2/h4-6,9H,7-8,10H2,1-3H3/b6-4-,11-9+,12-5+
InChIKeyRSULLEYICRFOKL-CQYGKZTESA-N
XLogP3.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,6E,10E,14E,18E,22Z)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene
CID 102073218
6,11-dimethyltrideca-2,6,10-triene
CID 139931040
N-(2-methylhexa-2,4-dienyl)ethanimine
CID 123470276
(2E,6Z,10E)-dodeca-2,6,10-triene
CID 12503721
hexatriaconta-2,6,10,14,18,22,26,30,34-nonaene
CID 154144745
(2E,6E,10E,14E,18E,22E)-tetracosa-2,6,10,14,18,22-hexaene
CID 57417215
3-methyldodeca-2,6,10-trien-1-ol
CID 57126192
6-methyldeca-1,5,8-triene
CID 150645087
octa-2,6-diene-1,2-diol
CID 174828973
(6E,10Z,14E,18Z)-2,10,23-trimethyltetracosa-2,6,10,14,18,22-hexaene
CID 5326453
3-methylocta-2,6-dien-1-ol
CID 57183202
2,10-dimethyldodeca-2,6,10-triene
CID 123930349

Frequently Asked Questions

What is the IUPAC name of N-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine?
The IUPAC name of N-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine (CID 142913207) is N-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine.
What is the SMILES notation for N-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine?
The canonical SMILES for N-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine is C/C=C\CC/C=C(\C)C/N=C/C.
What is the InChIKey of N-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine?
The InChIKey is RSULLEYICRFOKL-CQYGKZTESA-N. The full InChI is InChI=1S/C11H19N/c1-4-6-7-8-9-11(3)10-12-5-2/h4-6,9H,7-8,10H2,1-3H3/b6-4-,11-9+,12-5+.
What are the key properties of N-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine?
N-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine has a molecular weight of 165.28 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,6Z)-2-methylocta-2,6-dienyl]ethanimine is sourced from PubChem (CID 142913207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).