ethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine

C15H25N — CID 142113019

IUPACethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESC/C=C\C=C/C=C/C1=CCN(C)CC1.CC
InChIInChI=1S/C13H19N.C2H6/c1-3-4-5-6-7-8-13-9-11-14(2)12-10-13;1-2/h3-9H,10-12H2,1-2H3;1-2H3/b4-3-,6-5-,8-7+;
InChIKeyGEFSMXJJLHLFTB-ZZJXELOHSA-N
MW219.37 g/mol
LogP3.96
Rot. Bonds3

About ethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine

ethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 142113019) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is ethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID142113019
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Nameethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESC/C=C\C=C/C=C/C1=CCN(C)CC1.CC
InChIInChI=1S/C13H19N.C2H6/c1-3-4-5-6-7-8-13-9-11-14(2)12-10-13;1-2/h3-9H,10-12H2,1-2H3;1-2H3/b4-3-,6-5-,8-7+;
InChIKeyGEFSMXJJLHLFTB-ZZJXELOHSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.96
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 ethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of ethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine (CID 142113019) is ethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for ethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for ethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine is C/C=C\C=C/C=C/C1=CCN(C)CC1.CC.
What is the InChIKey of ethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is GEFSMXJJLHLFTB-ZZJXELOHSA-N. The full InChI is InChI=1S/C13H19N.C2H6/c1-3-4-5-6-7-8-13-9-11-14(2)12-10-13;1-2/h3-9H,10-12H2,1-2H3;1-2H3/b4-3-,6-5-,8-7+;.
What are the key properties of ethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine?
ethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 219.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 142113019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).