(3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene

C19H27N — CID 129237976

IUPAC(3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene
SMILESC=CC(=C/C)/C1=C/C=N\C=C/C=C\C(CC)C(C)(C)C1
InChIInChI=1S/C19H27N/c1-6-16(7-2)17-12-14-20-13-10-9-11-18(8-3)19(4,5)15-17/h6-7,9-14,18H,1,8,15H2,2-5H3/b11-9-,13-10-,16-7-,17-12+,20-14-
InChIKeyZOININMSXXKZJM-QCQVIKFASA-N
MW269.43 g/mol
LogP5.64
Rot. Bonds3

About (3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene

(3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene (PubChem CID 129237976) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is (3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene.

Molecular Properties

Compound Name(3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene
PubChem CID129237976
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name(3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene
SMILESC=CC(=C/C)/C1=C/C=N\C=C/C=C\C(CC)C(C)(C)C1
InChIInChI=1S/C19H27N/c1-6-16(7-2)17-12-14-20-13-10-9-11-18(8-3)19(4,5)15-17/h6-7,9-14,18H,1,8,15H2,2-5H3/b11-9-,13-10-,16-7-,17-12+,20-14-
InChIKeyZOININMSXXKZJM-QCQVIKFASA-N
XLogP5.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene?
The IUPAC name of (3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene (CID 129237976) is (3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene.
What is the SMILES notation for (3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene?
The canonical SMILES for (3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene is C=CC(=C/C)/C1=C/C=N\C=C/C=C\C(CC)C(C)(C)C1.
What is the InChIKey of (3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene?
The InChIKey is ZOININMSXXKZJM-QCQVIKFASA-N. The full InChI is InChI=1S/C19H27N/c1-6-16(7-2)17-12-14-20-13-10-9-11-18(8-3)19(4,5)15-17/h6-7,9-14,18H,1,8,15H2,2-5H3/b11-9-,13-10-,16-7-,17-12+,20-14-.
What are the key properties of (3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene?
(3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene has a molecular weight of 269.43 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,8Z,10Z)-7-ethyl-6,6-dimethyl-4-[(3Z)-penta-1,3-dien-3-yl]-1-azacycloundeca-1,3,8,10-tetraene is sourced from PubChem (CID 129237976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).