6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine

C15H18N2 — CID 167215704

IUPAC6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine
SMILESC=CC(=C)C(=Cc1nc(N)ccc1C)/C=C\C
InChIInChI=1S/C15H18N2/c1-5-7-13(11(3)6-2)10-14-12(4)8-9-15(16)17-14/h5-10H,2-3H2,1,4H3,(H2,16,17)/b7-5-,13-10-
InChIKeyUYIZGMHFDDZUGH-GSOVPNJMSA-N
MW226.32 g/mol
LogP3.67
Rot. Bonds4

About 6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine

6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine (PubChem CID 167215704) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine
PubChem CID167215704
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine
SMILESC=CC(=C)C(=Cc1nc(N)ccc1C)/C=C\C
InChIInChI=1S/C15H18N2/c1-5-7-13(11(3)6-2)10-14-12(4)8-9-15(16)17-14/h5-10H,2-3H2,1,4H3,(H2,16,17)/b7-5-,13-10-
InChIKeyUYIZGMHFDDZUGH-GSOVPNJMSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine?
The IUPAC name of 6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine (CID 167215704) is 6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine.
What is the SMILES notation for 6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine?
The canonical SMILES for 6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine is C=CC(=C)C(=Cc1nc(N)ccc1C)/C=C\C.
What is the InChIKey of 6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine?
The InChIKey is UYIZGMHFDDZUGH-GSOVPNJMSA-N. The full InChI is InChI=1S/C15H18N2/c1-5-7-13(11(3)6-2)10-14-12(4)8-9-15(16)17-14/h5-10H,2-3H2,1,4H3,(H2,16,17)/b7-5-,13-10-.
What are the key properties of 6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine?
6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine has a molecular weight of 226.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1Z,3Z)-2-buta-1,3-dien-2-ylpenta-1,3-dienyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 167215704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).