3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine

C19H29N3 — CID 83948930

IUPAC3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
SMILESCc1cc(C)c2c(CCN3CCCC3)cn(CCCN)c2c1
InChIInChI=1S/C19H29N3/c1-15-12-16(2)19-17(6-11-21-8-3-4-9-21)14-22(10-5-7-20)18(19)13-15/h12-14H,3-11,20H2,1-2H3
InChIKeyOKFQBYPQKLBPJE-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.25
Rot. Bonds6

About 3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine

3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine (PubChem CID 83948930) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
PubChem CID83948930
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
SMILESCc1cc(C)c2c(CCN3CCCC3)cn(CCCN)c2c1
InChIInChI=1S/C19H29N3/c1-15-12-16(2)19-17(6-11-21-8-3-4-9-21)14-22(10-5-7-20)18(19)13-15/h12-14H,3-11,20H2,1-2H3
InChIKeyOKFQBYPQKLBPJE-UHFFFAOYSA-N
XLogP3.25
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5,6-dimethoxy-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine
CID 83948898
1-ethyl-4,6-dimethyl-3-(3-piperazin-1-ylpropyl)indole
CID 83948919
1-[1-(3-aminopropyl)-4,6-dimethylindol-3-yl]ethanol
CID 83944872
1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946979
1-butyl-5-methyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83947013
1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947926
3-(4,7-dimethyl-3-propylindol-1-yl)propan-1-amine
CID 83948548
2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719753
3-(5,7-dimethyl-3-propylindol-1-yl)propan-1-amine
CID 83948572
2-[4,7-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
CID 83947576
1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946975
3-[1-(3-aminopropyl)-5,7-dimethylindol-3-yl]propan-1-ol
CID 83944989

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine (CID 83948930) is 3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine is Cc1cc(C)c2c(CCN3CCCC3)cn(CCCN)c2c1.
What is the InChIKey of 3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine?
The InChIKey is OKFQBYPQKLBPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-15-12-16(2)19-17(6-11-21-8-3-4-9-21)14-22(10-5-7-20)18(19)13-15/h12-14H,3-11,20H2,1-2H3.
What are the key properties of 3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine?
3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine has a molecular weight of 299.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]propan-1-amine is sourced from PubChem (CID 83948930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).