4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine

C15H21N3 — CID 82386117

IUPAC4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine
SMILESCc1c(C2CN(C)CC2N)c2ccccc2n1C
InChIInChI=1S/C15H21N3/c1-10-15(12-8-17(2)9-13(12)16)11-6-4-5-7-14(11)18(10)3/h4-7,12-13H,8-9,16H2,1-3H3
InChIKeyZEWWOXQHENBFTA-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.84
Rot. Bonds1

About 4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine

4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine (PubChem CID 82386117) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine
PubChem CID82386117
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine
SMILESCc1c(C2CN(C)CC2N)c2ccccc2n1C
InChIInChI=1S/C15H21N3/c1-10-15(12-8-17(2)9-13(12)16)11-6-4-5-7-14(11)18(10)3/h4-7,12-13H,8-9,16H2,1-3H3
InChIKeyZEWWOXQHENBFTA-UHFFFAOYSA-N
XLogP1.84
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1,2-dimethylindol-3-yl)pyrrolidin-1-yl]ethanamine
CID 82623529
(1S,12S)-9,20-dimethyl-9,20-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-2(10),3,5,7,13(21),14,16,18-octaene
CID 102058604
[1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine
CID 82622276
(3R,4S)-4-(2-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 124675407
(3R,4R)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-amine
CID 124669561
(3S,4R)-4-(4-bromophenyl)-1-methylpyrrolidin-3-amine
CID 69346862
ethane;1,2,3-trimethylindole
CID 91590745
cyclobutyl-(1,2-dimethylindol-3-yl)methanamine
CID 82288284
(3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 96623121
4-(2-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82395877
3-iodo-1,2-dimethylindole
CID 19093282
1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 118271900

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine?
The IUPAC name of 4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine (CID 82386117) is 4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for 4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for 4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine is Cc1c(C2CN(C)CC2N)c2ccccc2n1C.
What is the InChIKey of 4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine?
The InChIKey is ZEWWOXQHENBFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-15(12-8-17(2)9-13(12)16)11-6-4-5-7-14(11)18(10)3/h4-7,12-13H,8-9,16H2,1-3H3.
What are the key properties of 4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine?
4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine has a molecular weight of 243.35 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 82386117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).