[1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine

C15H21N3 — CID 82622276

IUPAC[1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)C(c2cn(C)c3ccccc23)C1
InChIInChI=1S/C15H21N3/c1-17-8-11(7-16)13(9-17)14-10-18(2)15-6-4-3-5-12(14)15/h3-6,10-11,13H,7-9,16H2,1-2H3
InChIKeyCKQNIEKGWSSVBD-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.78
Rot. Bonds2

About [1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine

[1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine (PubChem CID 82622276) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine
PubChem CID82622276
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine
SMILESCN1CC(CN)C(c2cn(C)c3ccccc23)C1
InChIInChI=1S/C15H21N3/c1-17-8-11(7-16)13(9-17)14-10-18(2)15-6-4-3-5-12(14)15/h3-6,10-11,13H,7-9,16H2,1-2H3
InChIKeyCKQNIEKGWSSVBD-UHFFFAOYSA-N
XLogP1.78
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 82625445
trans-(1R,2R)-2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289453
2-(1-methylindol-3-yl)cyclopropane-1-carboxylic acid
CID 67289450
4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine
CID 58610231
1-[(3S,4R)-3-(dimethylamino)-4-(1-methylindol-3-yl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 95854781
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
1-ethyl-4-(1-methylindol-3-yl)imidazolidin-2-one
CID 116981002
[(3S,4S)-4-(furan-2-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 96744208
1-(2-hydroxyethyl)-4-(1-methylindol-3-yl)imidazolidin-2-one
CID 116979364
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
4-(1,2-dimethylindol-3-yl)-1-methylpyrrolidin-3-amine
CID 82386117
(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine (CID 82622276) is [1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine is CN1CC(CN)C(c2cn(C)c3ccccc23)C1.
What is the InChIKey of [1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is CKQNIEKGWSSVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-17-8-11(7-16)13(9-17)14-10-18(2)15-6-4-3-5-12(14)15/h3-6,10-11,13H,7-9,16H2,1-2H3.
What are the key properties of [1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine?
[1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(1-methylindol-3-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 82622276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).