N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid

C15H21NO5 — CID 70686302

IUPACN,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid
SMILESCN(C)CCOC/C=C/c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C13H19NO.C2H2O4/c1-14(2)10-12-15-11-6-9-13-7-4-3-5-8-13;3-1(4)2(5)6/h3-9H,10-12H2,1-2H3;(H,3,4)(H,5,6)/b9-6+;
InChIKeyJDDHLXSTCZKJNV-MLBSPLJJSA-N
MW295.34 g/mol
LogP1.43
Rot. Bonds6

About N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid

N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid (PubChem CID 70686302) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid
PubChem CID70686302
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC NameN,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid
SMILESCN(C)CCOC/C=C/c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C13H19NO.C2H2O4/c1-14(2)10-12-15-11-6-9-13-7-4-3-5-8-13;3-1(4)2(5)6/h3-9H,10-12H2,1-2H3;(H,3,4)(H,5,6)/b9-6+;
InChIKeyJDDHLXSTCZKJNV-MLBSPLJJSA-N
XLogP1.43
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 70406914
2-(dimethylamino)ethyl (E)-4-phenylbut-3-enoate
CID 102115295
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
CID 70406880
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one
CID 11310468
N-[2-[(E)-3-phenylprop-2-enoxy]ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 70684171
4-[(E)-3-phenylprop-2-enoxy]but-1-en-2-yl acetate
CID 146652816
N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine
CID 70407651
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70682052
3-henicosoxyprop-1-enylbenzene
CID 139660432

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid?
The IUPAC name of N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid (CID 70686302) is N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid.
What is the SMILES notation for N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid?
The canonical SMILES for N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid is CN(C)CCOC/C=C/c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid?
The InChIKey is JDDHLXSTCZKJNV-MLBSPLJJSA-N. The full InChI is InChI=1S/C13H19NO.C2H2O4/c1-14(2)10-12-15-11-6-9-13-7-4-3-5-8-13;3-1(4)2(5)6/h3-9H,10-12H2,1-2H3;(H,3,4)(H,5,6)/b9-6+;.
What are the key properties of N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid?
N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid has a molecular weight of 295.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid is sourced from PubChem (CID 70686302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).