[1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine

C17H25N3 — CID 117431684

IUPAC[1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine
SMILESCc1c(C)n(C)c2cc(C3CC(CN)CN3C)ccc12
InChIInChI=1S/C17H25N3/c1-11-12(2)20(4)17-8-14(5-6-15(11)17)16-7-13(9-18)10-19(16)3/h5-6,8,13,16H,7,9-10,18H2,1-4H3
InChIKeyRIJMKSCJJPFMCE-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.75
Rot. Bonds2

About [1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine

[1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine (PubChem CID 117431684) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is [1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine
PubChem CID117431684
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name[1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine
SMILESCc1c(C)n(C)c2cc(C3CC(CN)CN3C)ccc12
InChIInChI=1S/C17H25N3/c1-11-12(2)20(4)17-8-14(5-6-15(11)17)16-7-13(9-18)10-19(16)3/h5-6,8,13,16H,7,9-10,18H2,1-4H3
InChIKeyRIJMKSCJJPFMCE-UHFFFAOYSA-N
XLogP2.75
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.75
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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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine (CID 117431684) is [1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine is Cc1c(C)n(C)c2cc(C3CC(CN)CN3C)ccc12.
What is the InChIKey of [1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is RIJMKSCJJPFMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-11-12(2)20(4)17-8-14(5-6-15(11)17)16-7-13(9-18)10-19(16)3/h5-6,8,13,16H,7,9-10,18H2,1-4H3.
What are the key properties of [1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine?
[1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 271.41 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(1,2,3-trimethylindol-6-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117431684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).