N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid

C18H24N2O5 — CID 3044833

IUPACN,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid
SMILESCN(C)CCC1(C)OCCc2c1[nH]c1ccccc21.O=C(O)C(=O)O
InChIInChI=1S/C16H22N2O.C2H2O4/c1-16(9-10-18(2)3)15-13(8-11-19-16)12-6-4-5-7-14(12)17-15;3-1(4)2(5)6/h4-7,17H,8-11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyOVTMPEOMIAZTTB-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.06
Rot. Bonds3

About N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid

N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid (PubChem CID 3044833) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid
PubChem CID3044833
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid
SMILESCN(C)CCC1(C)OCCc2c1[nH]c1ccccc21.O=C(O)C(=O)O
InChIInChI=1S/C16H22N2O.C2H2O4/c1-16(9-10-18(2)3)15-13(8-11-19-16)12-6-4-5-7-14(12)17-15;3-1(4)2(5)6/h4-7,17H,8-11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyOVTMPEOMIAZTTB-UHFFFAOYSA-N
XLogP2.06
TPSA102.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid with MolForge

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Launch Full Analysis

Related Compounds

acetic acid;(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)methanol
CID 22766912
1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide
CID 12708178
3-[1-[3-(dimethylamino)-3-oxopropyl]-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]propanoic acid
CID 12507646
2-(1-ethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanol
CID 59639732
[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] 2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetate
CID 10691264
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetate
CID 10527930
1'-butyl-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
CID 25062480
N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 118711487
1'-ethyl-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 25062215
1-methyl-1-(2-oxo-2-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylethyl)urea
CID 135114267
1'-butyl-N,N-dimethylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 25062479
acetic acid;3-amino-1-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropan-1-one
CID 154916173

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid?
The IUPAC name of N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid (CID 3044833) is N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid.
What is the SMILES notation for N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid?
The canonical SMILES for N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid is CN(C)CCC1(C)OCCc2c1[nH]c1ccccc21.O=C(O)C(=O)O.
What is the InChIKey of N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid?
The InChIKey is OVTMPEOMIAZTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.C2H2O4/c1-16(9-10-18(2)3)15-13(8-11-19-16)12-6-4-5-7-14(12)17-15;3-1(4)2(5)6/h4-7,17H,8-11H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid?
N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid has a molecular weight of 348.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine;oxalic acid is sourced from PubChem (CID 3044833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).