[3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone

C21H21N3O — CID 112529805

IUPAC[3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone
SMILESCc1c(CCN)c2ccccc2n1C(=O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C21H21N3O/c1-14-17(9-11-22)18-5-3-4-6-20(18)24(14)21(25)16-7-8-19-15(13-16)10-12-23(19)2/h3-8,10,12-13H,9,11,22H2,1-2H3
InChIKeyNIBPJGWOMKXNGP-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.63
Rot. Bonds3

About [3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone

[3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone (PubChem CID 112529805) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is [3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone
PubChem CID112529805
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name[3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone
SMILESCc1c(CCN)c2ccccc2n1C(=O)c1ccc2c(ccn2C)c1
InChIInChI=1S/C21H21N3O/c1-14-17(9-11-22)18-5-3-4-6-20(18)24(14)21(25)16-7-8-19-15(13-16)10-12-23(19)2/h3-8,10,12-13H,9,11,22H2,1-2H3
InChIKeyNIBPJGWOMKXNGP-UHFFFAOYSA-N
XLogP3.63
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone
CID 112529811
(7-amino-2-methylindol-1-yl)-(1-methylindol-5-yl)methanone
CID 112526845
2-(1-hydroxy-2-methylindol-3-yl)ethanamine
CID 174625150
2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide
CID 54594673
2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid
CID 91690277
methyl 5-[3-(2-aminoethyl)-2-methylindole-1-carbonyl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 112529749
2-(2-methyl-1-phenylindol-3-yl)ethanamine
CID 744625
(4-amino-3-methylpyrazol-1-yl)-(1-methylindol-5-yl)methanone
CID 112525161
2-[1-[2-(1,3-benzodioxole-5-carbonyl)benzoyl]-2-methylindol-3-yl]acetic acid
CID 69017470
CID 163999461
CID 163999461
2-methyl-1-(1-methylindol-5-yl)propan-1-one
CID 83388491
1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide
CID 91690481

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone?
The IUPAC name of [3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone (CID 112529805) is [3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone?
The canonical SMILES for [3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone is Cc1c(CCN)c2ccccc2n1C(=O)c1ccc2c(ccn2C)c1.
What is the InChIKey of [3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone?
The InChIKey is NIBPJGWOMKXNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-17(9-11-22)18-5-3-4-6-20(18)24(14)21(25)16-7-8-19-15(13-16)10-12-23(19)2/h3-8,10,12-13H,9,11,22H2,1-2H3.
What are the key properties of [3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone?
[3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone has a molecular weight of 331.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)-2-methylindol-1-yl]-(1-methylindol-5-yl)methanone is sourced from PubChem (CID 112529805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).