1,2-dimethylindol-5-amine;2-methoxyacetaldehyde

C13H18N2O2 — CID 143092013

IUPAC1,2-dimethylindol-5-amine;2-methoxyacetaldehyde
SMILESCOCC=O.Cc1cc2cc(N)ccc2n1C
InChIInChI=1S/C10H12N2.C3H6O2/c1-7-5-8-6-9(11)3-4-10(8)12(7)2;1-5-3-2-4/h3-6H,11H2,1-2H3;2H,3H2,1H3
InChIKeyAMENABZNWPNITA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.90
Rot. Bonds2

About 1,2-dimethylindol-5-amine;2-methoxyacetaldehyde

1,2-dimethylindol-5-amine;2-methoxyacetaldehyde (PubChem CID 143092013) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1,2-dimethylindol-5-amine;2-methoxyacetaldehyde.

Molecular Properties

Compound Name1,2-dimethylindol-5-amine;2-methoxyacetaldehyde
PubChem CID143092013
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1,2-dimethylindol-5-amine;2-methoxyacetaldehyde
SMILESCOCC=O.Cc1cc2cc(N)ccc2n1C
InChIInChI=1S/C10H12N2.C3H6O2/c1-7-5-8-6-9(11)3-4-10(8)12(7)2;1-5-3-2-4/h3-6H,11H2,1-2H3;2H,3H2,1H3
InChIKeyAMENABZNWPNITA-UHFFFAOYSA-N
XLogP1.90
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethylindol-5-amine
CID 6484710
4-(1,2-dimethylindol-5-yl)aniline
CID 116996411
3-(1,2-dimethylindol-5-yl)aniline
CID 116996409
ethyl (E)-3-(6-amino-1-methyl-2-oxoquinolin-3-yl)prop-2-enoate
CID 135137752
2-(methoxymethyl)-3-methylbenzimidazol-5-amine
CID 91560563
1-methyl-2-(propan-2-yloxymethyl)indol-5-amine
CID 117176882
1-(1,2-dimethylindol-5-yl)propan-2-amine
CID 117204599
[1-(1,2-dimethylindol-5-yl)cyclobutyl]methanamine
CID 116996460
2-(1,2-dimethylindol-5-yl)oxyacetate
CID 6969837
1-methyl-2-(phenoxymethyl)indol-5-amine
CID 117176691
1-methyl-2-pentylindol-5-amine
CID 150191392
tert-butyl formate;1-methylindol-5-amine
CID 174939180

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylindol-5-amine;2-methoxyacetaldehyde?
The IUPAC name of 1,2-dimethylindol-5-amine;2-methoxyacetaldehyde (CID 143092013) is 1,2-dimethylindol-5-amine;2-methoxyacetaldehyde.
What is the SMILES notation for 1,2-dimethylindol-5-amine;2-methoxyacetaldehyde?
The canonical SMILES for 1,2-dimethylindol-5-amine;2-methoxyacetaldehyde is COCC=O.Cc1cc2cc(N)ccc2n1C.
What is the InChIKey of 1,2-dimethylindol-5-amine;2-methoxyacetaldehyde?
The InChIKey is AMENABZNWPNITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C3H6O2/c1-7-5-8-6-9(11)3-4-10(8)12(7)2;1-5-3-2-4/h3-6H,11H2,1-2H3;2H,3H2,1H3.
What are the key properties of 1,2-dimethylindol-5-amine;2-methoxyacetaldehyde?
1,2-dimethylindol-5-amine;2-methoxyacetaldehyde has a molecular weight of 234.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylindol-5-amine;2-methoxyacetaldehyde is sourced from PubChem (CID 143092013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).