[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine

C16H26N2S — CID 106662947

IUPAC[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine
SMILESCC1CC(C)(C)CC1(CN)N1CCc2sccc2C1
InChIInChI=1S/C16H26N2S/c1-12-8-15(2,3)10-16(12,11-17)18-6-4-14-13(9-18)5-7-19-14/h5,7,12H,4,6,8-11,17H2,1-3H3
InChIKeyOOTFDEISJLKSNO-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.26
Rot. Bonds2

About [1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine

[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine (PubChem CID 106662947) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is [1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine
PubChem CID106662947
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine
SMILESCC1CC(C)(C)CC1(CN)N1CCc2sccc2C1
InChIInChI=1S/C16H26N2S/c1-12-8-15(2,3)10-16(12,11-17)18-6-4-14-13(9-18)5-7-19-14/h5,7,12H,4,6,8-11,17H2,1-3H3
InChIKeyOOTFDEISJLKSNO-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-methylcyclohexyl]methanamine
CID 43185272
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethylcyclopentyl]methanamine
CID 64500933
[1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663272
[1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663296
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-methylbutan-1-amine
CID 62264305
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 114827773
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,3-dimethylbutan-1-amine
CID 61353756
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methylbutan-1-amine
CID 79413918
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbutan-1-one
CID 79809401
[1-(2,5-dimethylmorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106662992
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)cyclopentyl]methanamine
CID 43530847
5-ethylsulfinyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 131043045

Frequently Asked Questions

What is the IUPAC name of [1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The IUPAC name of [1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine (CID 106662947) is [1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine.
What is the SMILES notation for [1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The canonical SMILES for [1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine is CC1CC(C)(C)CC1(CN)N1CCc2sccc2C1.
What is the InChIKey of [1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The InChIKey is OOTFDEISJLKSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-12-8-15(2,3)10-16(12,11-17)18-6-4-14-13(9-18)5-7-19-14/h5,7,12H,4,6,8-11,17H2,1-3H3.
What are the key properties of [1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine?
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine has a molecular weight of 278.46 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,4,4-trimethylcyclopentyl]methanamine is sourced from PubChem (CID 106662947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).