3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine

C11H15N3 — CID 84771242

IUPAC3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine
SMILESCC(CCN)c1cnc2cc[nH]c2c1
InChIInChI=1S/C11H15N3/c1-8(2-4-12)9-6-11-10(14-7-9)3-5-13-11/h3,5-8,13H,2,4,12H2,1H3
InChIKeyJQUSRTLWYGVSHM-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.02
Rot. Bonds3

About 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine

3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine (PubChem CID 84771242) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine.

Molecular Properties

Compound Name3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine
PubChem CID84771242
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine
SMILESCC(CCN)c1cnc2cc[nH]c2c1
InChIInChI=1S/C11H15N3/c1-8(2-4-12)9-6-11-10(14-7-9)3-5-13-11/h3,5-8,13H,2,4,12H2,1H3
InChIKeyJQUSRTLWYGVSHM-UHFFFAOYSA-N
XLogP2.02
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)butane-1,2-diol
CID 171881415
(1R)-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethane-1,2-diamine
CID 97056959
(1S)-1-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-one
CID 97056961
3-(1H-indol-6-yl)butan-1-amine
CID 82602760
3-amino-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170828191
2-(methylamino)-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)ethanol
CID 76847430
3,4-dihydroxy-4-(1H-pyrrolo[3,2-b]pyridin-6-yl)butanoic acid
CID 171877833
3-(3H-benzimidazol-5-yl)-4-methylpentan-1-amine
CID 82493432
ethane;6-methyl-1H-pyrrolo[3,2-b]pyridine;propane
CID 142447462
2-methyl-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propan-2-amine
CID 84771256
(2S)-2-(1H-pyrrolo[3,2-b]pyridin-5-yl)propan-1-amine
CID 130927222
3-azido-1-(1H-pyrrolo[3,2-b]pyridin-6-yl)propane-1,2-diol
CID 170826180

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine?
The IUPAC name of 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine (CID 84771242) is 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine.
What is the SMILES notation for 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine?
The canonical SMILES for 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine is CC(CCN)c1cnc2cc[nH]c2c1.
What is the InChIKey of 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine?
The InChIKey is JQUSRTLWYGVSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8(2-4-12)9-6-11-10(14-7-9)3-5-13-11/h3,5-8,13H,2,4,12H2,1H3.
What are the key properties of 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine?
3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine has a molecular weight of 189.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrolo[3,2-b]pyridin-6-yl)butan-1-amine is sourced from PubChem (CID 84771242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).