5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol

C16H24N2OS — CID 109396323

IUPAC5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol
SMILESCC(C)CC(CCO)CNCc1cnc2ccsc2c1
InChIInChI=1S/C16H24N2OS/c1-12(2)7-13(3-5-19)9-17-10-14-8-16-15(18-11-14)4-6-20-16/h4,6,8,11-13,17,19H,3,5,7,9-10H2,1-2H3
InChIKeyRNXVFTMEIVATIN-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.43
Rot. Bonds8

About 5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol

5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol (PubChem CID 109396323) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol
PubChem CID109396323
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol
SMILESCC(C)CC(CCO)CNCc1cnc2ccsc2c1
InChIInChI=1S/C16H24N2OS/c1-12(2)7-13(3-5-19)9-17-10-14-8-16-15(18-11-14)4-6-20-16/h4,6,8,11-13,17,19H,3,5,7,9-10H2,1-2H3
InChIKeyRNXVFTMEIVATIN-UHFFFAOYSA-N
XLogP3.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol with MolForge

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Related Compounds

1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol
CID 109396051
(2R)-2-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-1-ol
CID 103848216
N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine
CID 115765554
5-methyl-3-[(thiophen-2-ylmethylamino)methyl]hexan-1-ol
CID 111498599
1-propan-2-yl-N-(thieno[3,2-b]pyridin-6-ylmethyl)cyclobutan-1-amine
CID 166329424
3-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-1-amine
CID 115765551
1-methoxy-N-(thieno[3,2-b]pyridin-6-ylmethyl)propan-2-amine
CID 115765543
5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol
CID 111498615
(2S)-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)propan-1-ol
CID 103789089
N-ethyl-3-methyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
CID 81143603
N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 81143527
3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-5-methylhexan-1-ol
CID 111498606

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol?
The IUPAC name of 5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol (CID 109396323) is 5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol.
What is the SMILES notation for 5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol?
The canonical SMILES for 5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol is CC(C)CC(CCO)CNCc1cnc2ccsc2c1.
What is the InChIKey of 5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol?
The InChIKey is RNXVFTMEIVATIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(2)7-13(3-5-19)9-17-10-14-8-16-15(18-11-14)4-6-20-16/h4,6,8,11-13,17,19H,3,5,7,9-10H2,1-2H3.
What are the key properties of 5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol?
5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol has a molecular weight of 292.45 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(thieno[3,2-b]pyridin-6-ylmethylamino)methyl]hexan-1-ol is sourced from PubChem (CID 109396323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).