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

C14H22N2S — CID 62427423

IUPACN-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)N1CCc2sccc2C1C
InChIInChI=1S/C14H22N2S/c1-10(9-15-12-3-4-12)16-7-5-14-13(11(16)2)6-8-17-14/h6,8,10-12,15H,3-5,7,9H2,1-2H3
InChIKeyXRCZCUCSNLVJFY-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.81
Rot. Bonds4

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

N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine (PubChem CID 62427423) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
PubChem CID62427423
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
SMILESCC(CNC1CC1)N1CCc2sccc2C1C
InChIInChI=1S/C14H22N2S/c1-10(9-15-12-3-4-12)16-7-5-14-13(11(16)2)6-8-17-14/h6,8,10-12,15H,3-5,7,9H2,1-2H3
InChIKeyXRCZCUCSNLVJFY-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine (CID 62427423) is N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine is CC(CNC1CC1)N1CCc2sccc2C1C.
What is the InChIKey of N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine?
The InChIKey is XRCZCUCSNLVJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10(9-15-12-3-4-12)16-7-5-14-13(11(16)2)6-8-17-14/h6,8,10-12,15H,3-5,7,9H2,1-2H3.
What are the key properties of N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine?
N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine has a molecular weight of 250.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine is sourced from PubChem (CID 62427423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).