3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine

C15H23N3 — CID 83948758

IUPAC3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine
SMILESCCc1ccc2c(c1)c(CCN)cn2CCCN
InChIInChI=1S/C15H23N3/c1-2-12-4-5-15-14(10-12)13(6-8-17)11-18(15)9-3-7-16/h4-5,10-11H,2-3,6-9,16-17H2,1H3
InChIKeyBQSPALSJMBLZCT-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.05
Rot. Bonds6

About 3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine

3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine (PubChem CID 83948758) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine
PubChem CID83948758
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine
SMILESCCc1ccc2c(c1)c(CCN)cn2CCCN
InChIInChI=1S/C15H23N3/c1-2-12-4-5-15-14(10-12)13(6-8-17)11-18(15)9-3-7-16/h4-5,10-11H,2-3,6-9,16-17H2,1H3
InChIKeyBQSPALSJMBLZCT-UHFFFAOYSA-N
XLogP2.05
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-ethyl-3-propylindol-1-yl)propan-1-amine
CID 83948753
3-(3,5-diethylindol-1-yl)propan-1-amine
CID 83948751
3-(2-aminoethyl)-1-(3-aminopropyl)indole-5-carboxylic acid
CID 83963355
3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine
CID 83948594
[3-(2-aminoethyl)-1-ethylindol-5-yl]methanesulfonamide
CID 70378764
3-[3-(2-aminoethyl)-6-methoxyindol-1-yl]propan-1-amine
CID 83948673
3-(3-ethyl-5,6-dimethylindol-1-yl)propan-1-amine
CID 83948289
(5-ethyl-1-methylindol-3-yl)methanamine
CID 82490826
2-[1-(3-phenylpropyl)indol-3-yl]ethanamine
CID 63156675
3-[1-(3-aminopropyl)-5,6-dimethoxyindol-3-yl]propan-1-amine
CID 83948403
3-(5-ethyl-1-methylindol-3-yl)propan-1-ol
CID 82278629
3-(8-ethyl-2,3-dihydro-[1,4]dioxino[2,3-f]indol-6-yl)propan-1-amine
CID 83948422

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine?
The IUPAC name of 3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine (CID 83948758) is 3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine?
The canonical SMILES for 3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine is CCc1ccc2c(c1)c(CCN)cn2CCCN.
What is the InChIKey of 3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine?
The InChIKey is BQSPALSJMBLZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-12-4-5-15-14(10-12)13(6-8-17)11-18(15)9-3-7-16/h4-5,10-11H,2-3,6-9,16-17H2,1H3.
What are the key properties of 3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine?
3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoethyl)-5-ethylindol-1-yl]propan-1-amine is sourced from PubChem (CID 83948758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).