N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine

C17H20N2S — CID 43280580

IUPACN-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine
SMILESc1ccc(N2CCc3sccc3C2)c(CNC2CC2)c1
InChIInChI=1S/C17H20N2S/c1-2-4-16(13(3-1)11-18-15-5-6-15)19-9-7-17-14(12-19)8-10-20-17/h1-4,8,10,15,18H,5-7,9,11-12H2
InChIKeyXAKJCJBBQDTDAI-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.56
Rot. Bonds4

About N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine

N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine (PubChem CID 43280580) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine
PubChem CID43280580
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC NameN-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine
SMILESc1ccc(N2CCc3sccc3C2)c(CNC2CC2)c1
InChIInChI=1S/C17H20N2S/c1-2-4-16(13(3-1)11-18-15-5-6-15)19-9-7-17-14(12-19)8-10-20-17/h1-4,8,10,15,18H,5-7,9,11-12H2
InChIKeyXAKJCJBBQDTDAI-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine (CID 43280580) is N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine is c1ccc(N2CCc3sccc3C2)c(CNC2CC2)c1.
What is the InChIKey of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is XAKJCJBBQDTDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-2-4-16(13(3-1)11-18-15-5-6-15)19-9-7-17-14(12-19)8-10-20-17/h1-4,8,10,15,18H,5-7,9,11-12H2.
What are the key properties of N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine?
N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 284.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43280580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).