(2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine

C13H20N2O — CID 70334325

IUPAC(2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine
SMILESC=C(CC/C=C(\C)CN)OC1=CC=CCN1
InChIInChI=1S/C13H20N2O/c1-11(10-14)6-5-7-12(2)16-13-8-3-4-9-15-13/h3-4,6,8,15H,2,5,7,9-10,14H2,1H3/b11-6+
InChIKeyKYRQCGNOLPZKOW-IZZDOVSWSA-N
MW220.32 g/mol
LogP2.20
Rot. Bonds6

About (2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine

(2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine (PubChem CID 70334325) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine
PubChem CID70334325
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine
SMILESC=C(CC/C=C(\C)CN)OC1=CC=CCN1
InChIInChI=1S/C13H20N2O/c1-11(10-14)6-5-7-12(2)16-13-8-3-4-9-15-13/h3-4,6,8,15H,2,5,7,9-10,14H2,1H3/b11-6+
InChIKeyKYRQCGNOLPZKOW-IZZDOVSWSA-N
XLogP2.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine?
The IUPAC name of (2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine (CID 70334325) is (2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine?
The canonical SMILES for (2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine is C=C(CC/C=C(\C)CN)OC1=CC=CCN1.
What is the InChIKey of (2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine?
The InChIKey is KYRQCGNOLPZKOW-IZZDOVSWSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(10-14)6-5-7-12(2)16-13-8-3-4-9-15-13/h3-4,6,8,15H,2,5,7,9-10,14H2,1H3/b11-6+.
What are the key properties of (2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine?
(2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-6-(1,2-dihydropyridin-6-yloxy)-2-methylhepta-2,6-dien-1-amine is sourced from PubChem (CID 70334325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).