[2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine

C15H21N3 — CID 82386121

IUPAC[2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine
SMILESCc1[nH]c2cccc(C)c2c1C1NCCC1CN
InChIInChI=1S/C15H21N3/c1-9-4-3-5-12-13(9)14(10(2)18-12)15-11(8-16)6-7-17-15/h3-5,11,15,17-18H,6-8,16H2,1-2H3
InChIKeyMMTRZIAHKYMBNI-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.39
Rot. Bonds2

About [2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine

[2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine (PubChem CID 82386121) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine
PubChem CID82386121
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine
SMILESCc1[nH]c2cccc(C)c2c1C1NCCC1CN
InChIInChI=1S/C15H21N3/c1-9-4-3-5-12-13(9)14(10(2)18-12)15-11(8-16)6-7-17-15/h3-5,11,15,17-18H,6-8,16H2,1-2H3
InChIKeyMMTRZIAHKYMBNI-UHFFFAOYSA-N
XLogP2.39
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine (CID 82386121) is [2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine is Cc1[nH]c2cccc(C)c2c1C1NCCC1CN.
What is the InChIKey of [2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is MMTRZIAHKYMBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-9-4-3-5-12-13(9)14(10(2)18-12)15-11(8-16)6-7-17-15/h3-5,11,15,17-18H,6-8,16H2,1-2H3.
What are the key properties of [2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine?
[2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethyl-1H-indol-3-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 82386121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).