3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol

C12H18N2O — CID 117200414

IUPAC3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol
SMILESCN1CC(CCCN)c2c(O)cccc21
InChIInChI=1S/C12H18N2O/c1-14-8-9(4-3-7-13)12-10(14)5-2-6-11(12)15/h2,5-6,9,15H,3-4,7-8,13H2,1H3
InChIKeyKOSGAJLONYRJJR-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.66
Rot. Bonds3

About 3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol

3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol (PubChem CID 117200414) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol.

Molecular Properties

Compound Name3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol
PubChem CID117200414
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol
SMILESCN1CC(CCCN)c2c(O)cccc21
InChIInChI=1S/C12H18N2O/c1-14-8-9(4-3-7-13)12-10(14)5-2-6-11(12)15/h2,5-6,9,15H,3-4,7-8,13H2,1H3
InChIKeyKOSGAJLONYRJJR-UHFFFAOYSA-N
XLogP1.66
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol?
The IUPAC name of 3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol (CID 117200414) is 3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol.
What is the SMILES notation for 3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol?
The canonical SMILES for 3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol is CN1CC(CCCN)c2c(O)cccc21.
What is the InChIKey of 3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol?
The InChIKey is KOSGAJLONYRJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-8-9(4-3-7-13)12-10(14)5-2-6-11(12)15/h2,5-6,9,15H,3-4,7-8,13H2,1H3.
What are the key properties of 3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol?
3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol has a molecular weight of 206.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol is sourced from PubChem (CID 117200414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).