2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine

C19H27N — CID 88941242

IUPAC2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine
SMILESC/C=C\C(CCC1CC1)=C(/C)C(C)C1=CC(C)=C=CN1
InChIInChI=1S/C19H27N/c1-5-6-18(10-9-17-7-8-17)15(3)16(4)19-13-14(2)11-12-20-19/h5-6,12-13,16-17,20H,7-10H2,1-4H3/b6-5-,18-15-
InChIKeyLWGIXCVHUQWZCS-PCFGJESISA-N
MW269.43 g/mol
LogP5.25
Rot. Bonds6

About 2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine

2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine (PubChem CID 88941242) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine.

Molecular Properties

Compound Name2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine
PubChem CID88941242
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine
SMILESC/C=C\C(CCC1CC1)=C(/C)C(C)C1=CC(C)=C=CN1
InChIInChI=1S/C19H27N/c1-5-6-18(10-9-17-7-8-17)15(3)16(4)19-13-14(2)11-12-20-19/h5-6,12-13,16-17,20H,7-10H2,1-4H3/b6-5-,18-15-
InChIKeyLWGIXCVHUQWZCS-PCFGJESISA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
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 2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine?
The IUPAC name of 2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine (CID 88941242) is 2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine.
What is the SMILES notation for 2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine?
The canonical SMILES for 2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine is C/C=C\C(CCC1CC1)=C(/C)C(C)C1=CC(C)=C=CN1.
What is the InChIKey of 2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine?
The InChIKey is LWGIXCVHUQWZCS-PCFGJESISA-N. The full InChI is InChI=1S/C19H27N/c1-5-6-18(10-9-17-7-8-17)15(3)16(4)19-13-14(2)11-12-20-19/h5-6,12-13,16-17,20H,7-10H2,1-4H3/b6-5-,18-15-.
What are the key properties of 2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine?
2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine has a molecular weight of 269.43 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-4-(2-cyclopropylethyl)-3-methylhepta-3,5-dien-2-yl]-4-methyl-1H-pyridine is sourced from PubChem (CID 88941242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).