2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid

C14H18N2O4 — CID 175928766

IUPAC2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid
SMILESCN(C)CCc1ccn2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C12H16N2.C2H2O4/c1-13(2)9-6-11-7-10-14-8-4-3-5-12(11)14;3-1(4)2(5)6/h3-5,7-8,10H,6,9H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyPLAPDBHBVDMQHV-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.20
Rot. Bonds3

About 2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid

2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid (PubChem CID 175928766) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid.

Molecular Properties

Compound Name2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid
PubChem CID175928766
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid
SMILESCN(C)CCc1ccn2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C12H16N2.C2H2O4/c1-13(2)9-6-11-7-10-14-8-4-3-5-12(11)14;3-1(4)2(5)6/h3-5,7-8,10H,6,9H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyPLAPDBHBVDMQHV-UHFFFAOYSA-N
XLogP1.20
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-(dimethylamino)ethyl]indolizin-7-yl]methanol
CID 169203041
indolizin-1-ylmethanol;pyridine
CID 174415152
2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
CID 166467543
N-methoxy-N-methylindolizine-1-carboxamide
CID 102037837
2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid
CID 166467492
[4-[2-(dimethylamino)ethyl]phenyl]-phenylmethanone
CID 44720417
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]octadecan-1-one
CID 166138351
methyl 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-4-oxobutanoate
CID 166467362
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]hexadecan-1-one
CID 166138506
[[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-[(2-phenylacetyl)oxymethoxy]phosphoryl]oxymethyl 2-phenylacetate
CID 166467368
N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70682052
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467171

Frequently Asked Questions

What is the IUPAC name of 2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid?
The IUPAC name of 2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid (CID 175928766) is 2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid.
What is the SMILES notation for 2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid?
The canonical SMILES for 2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid is CN(C)CCc1ccn2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of 2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid?
The InChIKey is PLAPDBHBVDMQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C2H2O4/c1-13(2)9-6-11-7-10-14-8-4-3-5-12(11)14;3-1(4)2(5)6/h3-5,7-8,10H,6,9H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid?
2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid has a molecular weight of 278.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indolizin-1-yl-N,N-dimethylethanamine;oxalic acid is sourced from PubChem (CID 175928766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).