2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine

C17H28N2O — CID 171520745

IUPAC2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine
SMILESC=CC1=C(/C(=C\C)OC(C)C)C(CCN(C)C)=CCN1
InChIInChI=1S/C17H28N2O/c1-7-15-17(16(8-2)20-13(3)4)14(9-11-18-15)10-12-19(5)6/h7-9,13,18H,1,10-12H2,2-6H3/b16-8+
InChIKeyQMNIQEGMSIYHCG-LZYBPNLTSA-N
MW276.42 g/mol
LogP3.24
Rot. Bonds7

About 2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine

2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine (PubChem CID 171520745) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine
PubChem CID171520745
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine
SMILESC=CC1=C(/C(=C\C)OC(C)C)C(CCN(C)C)=CCN1
InChIInChI=1S/C17H28N2O/c1-7-15-17(16(8-2)20-13(3)4)14(9-11-18-15)10-12-19(5)6/h7-9,13,18H,1,10-12H2,2-6H3/b16-8+
InChIKeyQMNIQEGMSIYHCG-LZYBPNLTSA-N
XLogP3.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine (CID 171520745) is 2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine is C=CC1=C(/C(=C\C)OC(C)C)C(CCN(C)C)=CCN1.
What is the InChIKey of 2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine?
The InChIKey is QMNIQEGMSIYHCG-LZYBPNLTSA-N. The full InChI is InChI=1S/C17H28N2O/c1-7-15-17(16(8-2)20-13(3)4)14(9-11-18-15)10-12-19(5)6/h7-9,13,18H,1,10-12H2,2-6H3/b16-8+.
What are the key properties of 2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine?
2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 171520745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).