oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine

C15H20N2O4 — CID 21071579

IUPACoxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine
SMILESCC(C)c1ccc2[nH]cc(CCN)c2c1.O=C(O)C(=O)O
InChIInChI=1S/C13H18N2.C2H2O4/c1-9(2)10-3-4-13-12(7-10)11(5-6-14)8-15-13;3-1(4)2(5)6/h3-4,7-9,15H,5-6,14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyVVMZTHXBEUODHD-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.95
Rot. Bonds3

About oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine

oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine (PubChem CID 21071579) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Nameoxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine
PubChem CID21071579
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameoxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine
SMILESCC(C)c1ccc2[nH]cc(CCN)c2c1.O=C(O)C(=O)O
InChIInChI=1S/C13H18N2.C2H2O4/c1-9(2)10-3-4-13-12(7-10)11(5-6-14)8-15-13;3-1(4)2(5)6/h3-4,7-9,15H,5-6,14H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyVVMZTHXBEUODHD-UHFFFAOYSA-N
XLogP1.95
TPSA116.41 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-(2-aminoethyl)-1H-indol-5-yl]butanoate
CID 54186822
3-(2-methylsulfonylethyl)-5-propan-2-yl-1H-indole
CID 156566204
oxalic acid;2-(5-pyridin-4-yl-1H-indol-3-yl)ethanamine
CID 67816242
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
4-[1-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-2-carboxyethyl]benzoic acid
CID 70053034
3-(2-aminoethyl)-1H-indole-5-carboxamide;(Z)-but-2-enedioic acid
CID 11709509
2-[3-(2-aminoethyl)-1H-indol-5-yl]-2-[4-(4-chlorophenyl)piperazin-1-yl]acetic acid
CID 67634312
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
1-[3-(2-aminoethyl)-1H-indol-5-yl]-2,2,2-trifluoroethanone
CID 82380642
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
3-(2-aminoethyl)-1H-indole-5-carboxamide;(E)-but-2-enedioic acid;ethanol
CID 166640054

Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine?
The IUPAC name of oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine (CID 21071579) is oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine?
The canonical SMILES for oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine is CC(C)c1ccc2[nH]cc(CCN)c2c1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine?
The InChIKey is VVMZTHXBEUODHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C2H2O4/c1-9(2)10-3-4-13-12(7-10)11(5-6-14)8-15-13;3-1(4)2(5)6/h3-4,7-9,15H,5-6,14H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine?
oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine has a molecular weight of 292.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-(5-propan-2-yl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 21071579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).