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

C15H23N3 — CID 66412246

IUPAC1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine
SMILESCCCCn1cc(CC(N)CC)c2cccnc21
InChIInChI=1S/C15H23N3/c1-3-5-9-18-11-12(10-13(16)4-2)14-7-6-8-17-15(14)18/h6-8,11,13H,3-5,9-10,16H2,1-2H3
InChIKeyDDMOGFZCWGMEDH-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.12
Rot. Bonds6

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

1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine (PubChem CID 66412246) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine
PubChem CID66412246
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine
SMILESCCCCn1cc(CC(N)CC)c2cccnc21
InChIInChI=1S/C15H23N3/c1-3-5-9-18-11-12(10-13(16)4-2)14-7-6-8-17-15(14)18/h6-8,11,13H,3-5,9-10,16H2,1-2H3
InChIKeyDDMOGFZCWGMEDH-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine?
The IUPAC name of 1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine (CID 66412246) is 1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine.
What is the SMILES notation for 1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine?
The canonical SMILES for 1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine is CCCCn1cc(CC(N)CC)c2cccnc21.
What is the InChIKey of 1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine?
The InChIKey is DDMOGFZCWGMEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-5-9-18-11-12(10-13(16)4-2)14-7-6-8-17-15(14)18/h6-8,11,13H,3-5,9-10,16H2,1-2H3.
What are the key properties of 1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine?
1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylpyrrolo[2,3-b]pyridin-3-yl)butan-2-amine is sourced from PubChem (CID 66412246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).