5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine

C17H23N3 — CID 177354373

IUPAC5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine
SMILESC=C(/C=C(\C)C(C)C)/C(=C\C=N\C)c1ccc(N)nc1
InChIInChI=1S/C17H23N3/c1-12(2)13(3)10-14(4)16(8-9-19-5)15-6-7-17(18)20-11-15/h6-12H,4H2,1-3,5H3,(H2,18,20)/b13-10+,16-8+,19-9+
InChIKeyIDODDQHVTSKXBH-LAYRWUHKSA-N
MW269.39 g/mol
LogP3.91
Rot. Bonds5

About 5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine

5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine (PubChem CID 177354373) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine
PubChem CID177354373
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine
SMILESC=C(/C=C(\C)C(C)C)/C(=C\C=N\C)c1ccc(N)nc1
InChIInChI=1S/C17H23N3/c1-12(2)13(3)10-14(4)16(8-9-19-5)15-6-7-17(18)20-11-15/h6-12H,4H2,1-3,5H3,(H2,18,20)/b13-10+,16-8+,19-9+
InChIKeyIDODDQHVTSKXBH-LAYRWUHKSA-N
XLogP3.91
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine?
The IUPAC name of 5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine (CID 177354373) is 5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine?
The canonical SMILES for 5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine is C=C(/C=C(\C)C(C)C)/C(=C\C=N\C)c1ccc(N)nc1.
What is the InChIKey of 5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine?
The InChIKey is IDODDQHVTSKXBH-LAYRWUHKSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(2)13(3)10-14(4)16(8-9-19-5)15-6-7-17(18)20-11-15/h6-12H,4H2,1-3,5H3,(H2,18,20)/b13-10+,16-8+,19-9+.
What are the key properties of 5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine?
5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E,5E)-6,7-dimethyl-4-methylidene-1-methyliminoocta-2,5-dien-3-yl]pyridin-2-amine is sourced from PubChem (CID 177354373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).