3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine

C15H22N2OS — CID 64830936

IUPAC3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine
SMILESCC(C)OCCCNC(C)c1cnc2ccsc2c1
InChIInChI=1S/C15H22N2OS/c1-11(2)18-7-4-6-16-12(3)13-9-15-14(17-10-13)5-8-19-15/h5,8-12,16H,4,6-7H2,1-3H3
InChIKeyPUXWQMNUBPHQEU-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.76
Rot. Bonds7

About 3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine

3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine (PubChem CID 64830936) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine
PubChem CID64830936
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine
SMILESCC(C)OCCCNC(C)c1cnc2ccsc2c1
InChIInChI=1S/C15H22N2OS/c1-11(2)18-7-4-6-16-12(3)13-9-15-14(17-10-13)5-8-19-15/h5,8-12,16H,4,6-7H2,1-3H3
InChIKeyPUXWQMNUBPHQEU-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine (CID 64830936) is 3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine is CC(C)OCCCNC(C)c1cnc2ccsc2c1.
What is the InChIKey of 3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine?
The InChIKey is PUXWQMNUBPHQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(2)18-7-4-6-16-12(3)13-9-15-14(17-10-13)5-8-19-15/h5,8-12,16H,4,6-7H2,1-3H3.
What are the key properties of 3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine?
3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine is sourced from PubChem (CID 64830936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).