1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine

C14H21N3 — CID 53364061

IUPAC1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(C(C)(C)C)[nH]c2ncccc12
InChIInChI=1S/C14H21N3/c1-14(2,3)12-11(9-17(4)5)10-7-6-8-15-13(10)16-12/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyJAYNWOJYHLJOTJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.92
Rot. Bonds2

About 1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine

1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine (PubChem CID 53364061) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine
PubChem CID53364061
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(C(C)(C)C)[nH]c2ncccc12
InChIInChI=1S/C14H21N3/c1-14(2,3)12-11(9-17(4)5)10-7-6-8-15-13(10)16-12/h6-8H,9H2,1-5H3,(H,15,16)
InChIKeyJAYNWOJYHLJOTJ-UHFFFAOYSA-N
XLogP2.92
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine (CID 53364061) is 1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine is CN(C)Cc1c(C(C)(C)C)[nH]c2ncccc12.
What is the InChIKey of 1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is JAYNWOJYHLJOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-14(2,3)12-11(9-17(4)5)10-7-6-8-15-13(10)16-12/h6-8H,9H2,1-5H3,(H,15,16).
What are the key properties of 1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine?
1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine has a molecular weight of 231.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 53364061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).