2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline

C19H25N — CID 178029174

IUPAC2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline
SMILESC=C/C=C(\C=C)CN1CCc2cc(C)ccc2C1(C)C
InChIInChI=1S/C19H25N/c1-6-8-16(7-2)14-20-12-11-17-13-15(3)9-10-18(17)19(20,4)5/h6-10,13H,1-2,11-12,14H2,3-5H3/b16-8+
InChIKeyYEEIVVYSLNZIBZ-LZYBPNLTSA-N
MW267.42 g/mol
LogP4.39
Rot. Bonds4

About 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline

2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline (PubChem CID 178029174) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline
PubChem CID178029174
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline
SMILESC=C/C=C(\C=C)CN1CCc2cc(C)ccc2C1(C)C
InChIInChI=1S/C19H25N/c1-6-8-16(7-2)14-20-12-11-17-13-15(3)9-10-18(17)19(20,4)5/h6-10,13H,1-2,11-12,14H2,3-5H3/b16-8+
InChIKeyYEEIVVYSLNZIBZ-LZYBPNLTSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1,1,6-trimethyl-3,4-dihydroisoquinoline
CID 58289854
1-[(2E)-2-ethenylpenta-2,4-dienyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 142133205
1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole
CID 145056471
7-methyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 138537394
1-[(2E)-2-ethenylpenta-2,4-dienyl]-2,3-dihydroindole;nitromethane
CID 145056470
benzene;buta-1,3-diene;2,7-dimethyl-3,4-dihydro-1H-isoquinoline;prop-1-ene
CID 155698278
1-(azetidin-1-yl)-2-(1,1-dimethyl-3,4-dihydroisoquinolin-2-yl)ethanone
CID 122159359
6-ethenyl-1-[(2E)-2-ethenylpenta-2,4-dienyl]-2-methylidene-3,4-dihydropyridine
CID 170748200
ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 171523229
6-[(2E)-2-ethenylpenta-2,4-dienyl]-7,8-dihydro-5H-1,6-naphthyridine
CID 177022160
2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-3,4-dihydro-1H-isoquinoline
CID 145149159
3-[[4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazin-1-yl]methyl]benzene-1,2-diol
CID 143368417

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline?
The IUPAC name of 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline (CID 178029174) is 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline?
The canonical SMILES for 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline is C=C/C=C(\C=C)CN1CCc2cc(C)ccc2C1(C)C.
What is the InChIKey of 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline?
The InChIKey is YEEIVVYSLNZIBZ-LZYBPNLTSA-N. The full InChI is InChI=1S/C19H25N/c1-6-8-16(7-2)14-20-12-11-17-13-15(3)9-10-18(17)19(20,4)5/h6-10,13H,1-2,11-12,14H2,3-5H3/b16-8+.
What are the key properties of 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline?
2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline has a molecular weight of 267.42 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-ethenylpenta-2,4-dienyl]-1,1,6-trimethyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 178029174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).