N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine

C12H17N3 — CID 115704290

IUPACN-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1c[nH]c2ncccc12
InChIInChI=1S/C12H17N3/c1-3-6-13-9(2)11-8-15-12-10(11)5-4-7-14-12/h4-5,7-9,13H,3,6H2,1-2H3,(H,14,15)
InChIKeyCFOIGVABLJRBLM-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.62
Rot. Bonds4

About N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine

N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine (PubChem CID 115704290) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine
PubChem CID115704290
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1c[nH]c2ncccc12
InChIInChI=1S/C12H17N3/c1-3-6-13-9(2)11-8-15-12-10(11)5-4-7-14-12/h4-5,7-9,13H,3,6H2,1-2H3,(H,14,15)
InChIKeyCFOIGVABLJRBLM-UHFFFAOYSA-N
XLogP2.62
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 115705603
(2S)-2-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethylamino]propan-1-ol
CID 103789032
(1R)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
CID 131140420
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-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81384006
(1S)-1-(2-bromophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 81383414
N-methyl-3-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 16725756
3-(1-cyclohexylpropyl)-1H-pyrrolo[2,3-b]pyridine
CID 174572842
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-amine
CID 46178830
N-ethyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 141065993

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine (CID 115704290) is N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine is CCCNC(C)c1c[nH]c2ncccc12.
What is the InChIKey of N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine?
The InChIKey is CFOIGVABLJRBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-6-13-9(2)11-8-15-12-10(11)5-4-7-14-12/h4-5,7-9,13H,3,6H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine?
N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine has a molecular weight of 203.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115704290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).