[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine

C12H17N3O — CID 66414725

IUPAC[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESCCOCCn1cc(CN)c2cccnc21
InChIInChI=1S/C12H17N3O/c1-2-16-7-6-15-9-10(8-13)11-4-3-5-14-12(11)15/h3-5,9H,2,6-8,13H2,1H3
InChIKeyPWMYYPDNNWBACQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.53
Rot. Bonds5

About [1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine

[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine (PubChem CID 66414725) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
PubChem CID66414725
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
SMILESCCOCCn1cc(CN)c2cccnc21
InChIInChI=1S/C12H17N3O/c1-2-16-7-6-15-9-10(8-13)11-4-3-5-14-12(11)15/h3-5,9H,2,6-8,13H2,1H3
InChIKeyPWMYYPDNNWBACQ-UHFFFAOYSA-N
XLogP1.53
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66414119
(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66415692
N-[[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412412
2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66413024
[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416272
1-[1-[2-(3-methylbutoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
CID 66410681
butyl 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]acetate
CID 66415107
N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine
CID 66412817
[1-[(1-methylimidazol-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416482
2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66412425
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide
CID 66414520
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66413562

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The IUPAC name of [1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine (CID 66414725) is [1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine.
What is the SMILES notation for [1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The canonical SMILES for [1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine is CCOCCn1cc(CN)c2cccnc21.
What is the InChIKey of [1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
The InChIKey is PWMYYPDNNWBACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-16-7-6-15-9-10(8-13)11-4-3-5-14-12(11)15/h3-5,9H,2,6-8,13H2,1H3.
What are the key properties of [1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine?
[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine has a molecular weight of 219.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine is sourced from PubChem (CID 66414725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).