5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine

C17H25N — CID 146336106

IUPAC5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine
SMILESC=C(C)/C=C(\C)C/C=C\C1=CCCC2CCCN12
InChIInChI=1S/C17H25N/c1-14(2)13-15(3)7-4-8-16-9-5-10-17-11-6-12-18(16)17/h4,8-9,13,17H,1,5-7,10-12H2,2-3H3/b8-4-,15-13+
InChIKeyCTIMHRDNDYMPKQ-QNJKFRJWSA-N
MW243.39 g/mol
LogP4.60
Rot. Bonds4

About 5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine

5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine (PubChem CID 146336106) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine.

Molecular Properties

Compound Name5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine
PubChem CID146336106
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine
SMILESC=C(C)/C=C(\C)C/C=C\C1=CCCC2CCCN12
InChIInChI=1S/C17H25N/c1-14(2)13-15(3)7-4-8-16-9-5-10-17-11-6-12-18(16)17/h4,8-9,13,17H,1,5-7,10-12H2,2-3H3/b8-4-,15-13+
InChIKeyCTIMHRDNDYMPKQ-QNJKFRJWSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.60
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 5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine?
The IUPAC name of 5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine (CID 146336106) is 5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine.
What is the SMILES notation for 5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine?
The canonical SMILES for 5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine is C=C(C)/C=C(\C)C/C=C\C1=CCCC2CCCN12.
What is the InChIKey of 5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine?
The InChIKey is CTIMHRDNDYMPKQ-QNJKFRJWSA-N. The full InChI is InChI=1S/C17H25N/c1-14(2)13-15(3)7-4-8-16-9-5-10-17-11-6-12-18(16)17/h4,8-9,13,17H,1,5-7,10-12H2,2-3H3/b8-4-,15-13+.
What are the key properties of 5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine?
5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine has a molecular weight of 243.39 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z,4E)-4,6-dimethylhepta-1,4,6-trienyl]-1,2,3,7,8,8a-hexahydroindolizine is sourced from PubChem (CID 146336106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).