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

C11H15N3 — CID 131140420

IUPAC(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
SMILESCCC[C@@H](N)c1c[nH]c2ncccc12
InChIInChI=1S/C11H15N3/c1-2-4-10(12)9-7-14-11-8(9)5-3-6-13-11/h3,5-7,10H,2,4,12H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyFOPNTDWWWDAVLM-SNVBAGLBSA-N
MW189.26 g/mol
LogP2.36
Rot. Bonds3

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

(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine (PubChem CID 131140420) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine.

Molecular Properties

Compound Name(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
PubChem CID131140420
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
SMILESCCC[C@@H](N)c1c[nH]c2ncccc12
InChIInChI=1S/C11H15N3/c1-2-4-10(12)9-7-14-11-8(9)5-3-6-13-11/h3,5-7,10H,2,4,12H2,1H3,(H,13,14)/t10-/m1/s1
InChIKeyFOPNTDWWWDAVLM-SNVBAGLBSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-1-amine
CID 55273004
N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine
CID 115704290
1-amino-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 55271278
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 171866265
(1R)-1-(2-chloro-3-pyridinyl)butan-1-amine
CID 55277738
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butane-1,2,4-triol
CID 171872464
N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 16725756
1-(2-ethoxy-3-pyridinyl)butan-1-amine
CID 55296374
(1R)-1-(2-nitro-3-pyridinyl)butan-1-amine
CID 55262751
3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine
CID 174572842
(2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol
CID 103789032
1-quinolin-8-ylbutan-1-amine
CID 79016206

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine?
The IUPAC name of (1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine (CID 131140420) is (1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine.
What is the SMILES notation for (1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine?
The canonical SMILES for (1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine is CCC[C@@H](N)c1c[nH]c2ncccc12.
What is the InChIKey of (1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine?
The InChIKey is FOPNTDWWWDAVLM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-4-10(12)9-7-14-11-8(9)5-3-6-13-11/h3,5-7,10H,2,4,12H2,1H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine?
(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine has a molecular weight of 189.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine is sourced from PubChem (CID 131140420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).