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

C19H34N2O — CID 171520744

IUPACethane;2-[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.CC
InChIInChI=1S/C17H28N2O.C2H6/c1-7-15-17(16(8-2)20-13(3)4)14(9-11-18-15)10-12-19(5)6;1-2/h7-9,13,18H,1,10-12H2,2-6H3;1-2H3/b16-8+;
InChIKeyNCEMROVCDULCCZ-OHGISNTKSA-N
MW306.49 g/mol
LogP4.26
Rot. Bonds7

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

ethane;2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine (PubChem CID 171520744) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is ethane;2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Nameethane;2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine
PubChem CID171520744
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Nameethane;2-[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.CC
InChIInChI=1S/C17H28N2O.C2H6/c1-7-15-17(16(8-2)20-13(3)4)14(9-11-18-15)10-12-19(5)6;1-2/h7-9,13,18H,1,10-12H2,2-6H3;1-2H3/b16-8+;
InChIKeyNCEMROVCDULCCZ-OHGISNTKSA-N
XLogP4.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 54.26
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 ethane;2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine?
The IUPAC name of ethane;2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine (CID 171520744) is ethane;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 ethane;2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine?
The InChIKey is NCEMROVCDULCCZ-OHGISNTKSA-N. The full InChI is InChI=1S/C17H28N2O.C2H6/c1-7-15-17(16(8-2)20-13(3)4)14(9-11-18-15)10-12-19(5)6;1-2/h7-9,13,18H,1,10-12H2,2-6H3;1-2H3/b16-8+;.
What are the key properties of ethane;2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine?
ethane;2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine has a molecular weight of 306.49 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[6-ethenyl-5-[(E)-1-propan-2-yloxyprop-1-enyl]-1,2-dihydropyridin-4-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 171520744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).