3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane

C19H31N — CID 145196787

IUPAC3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane
SMILESC=C/C=C\C(=C(C)C)c1nc(C)ccc1C.CC.CC
InChIInChI=1S/C15H19N.2C2H6/c1-6-7-8-14(11(2)3)15-12(4)9-10-13(5)16-15;2*1-2/h6-10H,1H2,2-5H3;2*1-2H3/b8-7-;;
InChIKeyAXUGBOBHNNAVDH-OTMFCZTRSA-N
MW273.46 g/mol
LogP6.29
Rot. Bonds3

About 3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane

3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane (PubChem CID 145196787) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane.

Molecular Properties

Compound Name3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane
PubChem CID145196787
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane
SMILESC=C/C=C\C(=C(C)C)c1nc(C)ccc1C.CC.CC
InChIInChI=1S/C15H19N.2C2H6/c1-6-7-8-14(11(2)3)15-12(4)9-10-13(5)16-15;2*1-2/h6-10H,1H2,2-5H3;2*1-2H3/b8-7-;;
InChIKeyAXUGBOBHNNAVDH-OTMFCZTRSA-N
XLogP6.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 56.29
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 3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane?
The IUPAC name of 3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane (CID 145196787) is 3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane.
What is the SMILES notation for 3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane?
The canonical SMILES for 3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane is C=C/C=C\C(=C(C)C)c1nc(C)ccc1C.CC.CC.
What is the InChIKey of 3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane?
The InChIKey is AXUGBOBHNNAVDH-OTMFCZTRSA-N. The full InChI is InChI=1S/C15H19N.2C2H6/c1-6-7-8-14(11(2)3)15-12(4)9-10-13(5)16-15;2*1-2/h6-10H,1H2,2-5H3;2*1-2H3/b8-7-;;.
What are the key properties of 3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane?
3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane has a molecular weight of 273.46 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]pyridine;ethane is sourced from PubChem (CID 145196787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).