1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine

C15H23N3 — CID 66410879

IUPAC1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine
SMILESCCC(N)Cc1cn(CC(C)C)c2ncccc12
InChIInChI=1S/C15H23N3/c1-4-13(16)8-12-10-18(9-11(2)3)15-14(12)6-5-7-17-15/h5-7,10-11,13H,4,8-9,16H2,1-3H3
InChIKeyLIYSOWGPMCNJSB-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.97
Rot. Bonds5

About 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine

1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine (PubChem CID 66410879) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine
PubChem CID66410879
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine
SMILESCCC(N)Cc1cn(CC(C)C)c2ncccc12
InChIInChI=1S/C15H23N3/c1-4-13(16)8-12-10-18(9-11(2)3)15-14(12)6-5-7-17-15/h5-7,10-11,13H,4,8-9,16H2,1-3H3
InChIKeyLIYSOWGPMCNJSB-UHFFFAOYSA-N
XLogP2.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine
CID 66412246
1-[1-(pyridin-2-ylmethyl)indol-3-yl]butan-2-amine
CID 66405858
1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
CID 66410681
3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide
CID 66414687
(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66414119
1-[1-(2,2,2-trifluoroethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
CID 106706266
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
CID 79263659
N-[(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
CID 66412207
6-chloro-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]pyridine-3-carboxamide
CID 53145168
N-[[1-(2-ethylbutyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 82928061
1-(2-chlorophenyl)-N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]methanesulfonamide
CID 53144930
5-[3-(2-aminopropyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile
CID 66412632

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine?
The IUPAC name of 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine (CID 66410879) is 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine?
The canonical SMILES for 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine is CCC(N)Cc1cn(CC(C)C)c2ncccc12.
What is the InChIKey of 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine?
The InChIKey is LIYSOWGPMCNJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-13(16)8-12-10-18(9-11(2)3)15-14(12)6-5-7-17-15/h5-7,10-11,13H,4,8-9,16H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine?
1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]butan-2-amine is sourced from PubChem (CID 66410879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).