N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

C15H22N2OS — CID 115713730

IUPACN-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCC(C)COCCNC(C)c1cnc2ccsc2c1
InChIInChI=1S/C15H22N2OS/c1-11(2)10-18-6-5-16-12(3)13-8-15-14(17-9-13)4-7-19-15/h4,7-9,11-12,16H,5-6,10H2,1-3H3
InChIKeyCAZILJOKCQPVOA-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.62
Rot. Bonds7

About N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine

N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 115713730) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID115713730
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCC(C)COCCNC(C)c1cnc2ccsc2c1
InChIInChI=1S/C15H22N2OS/c1-11(2)10-18-6-5-16-12(3)13-8-15-14(17-9-13)4-7-19-15/h4,7-9,11-12,16H,5-6,10H2,1-3H3
InChIKeyCAZILJOKCQPVOA-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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'-(1-thieno[3,2-b]pyridin-6-ylethyl)ethane-1,2-diamine
CID 64830566
3-propan-2-yloxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)propan-1-amine
CID 64830936
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)propane-1,3-diamine
CID 64830568
2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
CID 115717289
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)butane-1,4-diamine
CID 64830758
N-(2-phenylsulfanylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64829637
N-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]acetamide
CID 64829172
N-(1-thieno[3,2-b]pyridin-6-ylethyl)pent-4-yn-1-amine
CID 103786961
2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid
CID 64828783
N-ethyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143217
N-(2-cyclopentylethyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 64831341
4-[2-(1-thieno[3,2-b]pyridin-6-ylethylamino)ethyl]phenol
CID 64830374

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 115713730) is N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is CC(C)COCCNC(C)c1cnc2ccsc2c1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is CAZILJOKCQPVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(2)10-18-6-5-16-12(3)13-8-15-14(17-9-13)4-7-19-15/h4,7-9,11-12,16H,5-6,10H2,1-3H3.
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine?
N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 278.42 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 115713730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).