N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine

C15H20N2S — CID 81144073

IUPACN-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
SMILESC=C(CC)CC(NCC)c1cnc2ccsc2c1
InChIInChI=1S/C15H20N2S/c1-4-11(3)8-14(16-5-2)12-9-15-13(17-10-12)6-7-18-15/h6-7,9-10,14,16H,3-5,8H2,1-2H3
InChIKeyUCWBWSOJKKPVJG-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.30
Rot. Bonds6

About N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine

N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine (PubChem CID 81144073) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
PubChem CID81144073
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
SMILESC=C(CC)CC(NCC)c1cnc2ccsc2c1
InChIInChI=1S/C15H20N2S/c1-4-11(3)8-14(16-5-2)12-9-15-13(17-10-12)6-7-18-15/h6-7,9-10,14,16H,3-5,8H2,1-2H3
InChIKeyUCWBWSOJKKPVJG-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
CID 81143603
N-ethyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143217
N-ethyl-1-thieno[3,2-b]pyridin-6-yl-2-thiophen-2-ylethanamine
CID 81144170
N-ethyl-2-(1,3-thiazol-5-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 112643482
2-bromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)prop-2-en-1-amine
CID 115717289
N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81153919
N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81143315
3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-one
CID 81147598
N-[(5-fluoro-3-pyridinyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81144068
N'-(1-thieno[3,2-b]pyridin-6-ylethyl)ethane-1,2-diamine
CID 64830566
2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetic acid
CID 64828783
(4-propylphenyl)-thieno[3,2-b]pyridin-6-ylmethanol
CID 81143867

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine?
The IUPAC name of N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine (CID 81144073) is N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine.
What is the SMILES notation for N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine?
The canonical SMILES for N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine is C=C(CC)CC(NCC)c1cnc2ccsc2c1.
What is the InChIKey of N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine?
The InChIKey is UCWBWSOJKKPVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-11(3)8-14(16-5-2)12-9-15-13(17-10-12)6-7-18-15/h6-7,9-10,14,16H,3-5,8H2,1-2H3.
What are the key properties of N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine?
N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine is sourced from PubChem (CID 81144073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).