3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine

C14H19N3 — CID 59715791

IUPAC3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
SMILESCN1CCC[C@H]1Cc1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H19N3/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8-9,12,16H,2-3,6-7,15H2,1H3/t12-/m0/s1
InChIKeyBBSNAHSUZJDFLE-LBPRGKRZSA-N
MW229.33 g/mol
LogP2.39
Rot. Bonds2

About 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine

3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine (PubChem CID 59715791) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine.

Molecular Properties

Compound Name3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
PubChem CID59715791
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
SMILESCN1CCC[C@H]1Cc1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H19N3/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8-9,12,16H,2-3,6-7,15H2,1H3/t12-/m0/s1
InChIKeyBBSNAHSUZJDFLE-LBPRGKRZSA-N
XLogP2.39
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 10220397
1-(3-aminophenyl)-2-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]ethanone
CID 23003804
[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]thiourea
CID 19040775
5-chloro-2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]aniline
CID 171706539
2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethanesulfonamide
CID 15840027
3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]propanamide
CID 54079951
N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide
CID 163863896
N-(4-methyl-3-nitro-2-pyridinyl)-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-amine;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 161394962
5-(2-ethylsulfonylethyl)-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 19970230
N,N-dibenzyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-amine
CID 54377816

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine?
The IUPAC name of 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine (CID 59715791) is 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine.
What is the SMILES notation for 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine?
The canonical SMILES for 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine is CN1CCC[C@H]1Cc1c[nH]c2ccc(N)cc12.
What is the InChIKey of 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine?
The InChIKey is BBSNAHSUZJDFLE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8-9,12,16H,2-3,6-7,15H2,1H3/t12-/m0/s1.
What are the key properties of 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine?
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine is sourced from PubChem (CID 59715791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).