N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine

C13H18N2OS — CID 81144162

IUPACN-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCCCOCC(NC)c1cnc2ccsc2c1
InChIInChI=1S/C13H18N2OS/c1-3-5-16-9-12(14-2)10-7-13-11(15-8-10)4-6-17-13/h4,6-8,12,14H,3,5,9H2,1-2H3
InChIKeyNXFYXRGOIKOARI-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.98
Rot. Bonds6

About N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine

N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 81144162) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID81144162
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCCCOCC(NC)c1cnc2ccsc2c1
InChIInChI=1S/C13H18N2OS/c1-3-5-16-9-12(14-2)10-7-13-11(15-8-10)4-6-17-13/h4,6-8,12,14H,3,5,9H2,1-2H3
InChIKeyNXFYXRGOIKOARI-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143217
N,3-dimethyl-1-thieno[3,2-b]pyridin-6-ylhexan-1-amine
CID 81143501
3-ethyl-N-methyl-1-thieno[3,2-b]pyridin-6-ylheptan-1-amine
CID 81143975
2-(4-chlorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143973
N-methyl-2-(4-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143698
2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81144261
N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 115713730
2-(4-bromophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143696
N-methyl-1-(6-methyl-3-pyridinyl)-2-propoxyethanamine
CID 63155924
5,5,5-trifluoro-N-methyl-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
CID 115517514
N-methyl-2-(2-methylphenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143207
N-methyl-1-thieno[3,2-b]pyridin-6-yl-3-thiophen-3-ylpropan-1-amine
CID 81143798

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 81144162) is N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine is CCCOCC(NC)c1cnc2ccsc2c1.
What is the InChIKey of N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is NXFYXRGOIKOARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-3-5-16-9-12(14-2)10-7-13-11(15-8-10)4-6-17-13/h4,6-8,12,14H,3,5,9H2,1-2H3.
What are the key properties of N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine?
N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 81144162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).