N-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine

C9H14N2S — CID 147656872

IUPACN-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine
SMILESCNCC1NCCc2cscc21
InChIInChI=1S/C9H14N2S/c1-10-4-9-8-6-12-5-7(8)2-3-11-9/h5-6,9-11H,2-4H2,1H3
InChIKeyGKOLVLRTLPEGNJ-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.15
Rot. Bonds2

About N-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine

N-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine (PubChem CID 147656872) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine
PubChem CID147656872
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine
SMILESCNCC1NCCc2cscc21
InChIInChI=1S/C9H14N2S/c1-10-4-9-8-6-12-5-7(8)2-3-11-9/h5-6,9-11H,2-4H2,1H3
InChIKeyGKOLVLRTLPEGNJ-UHFFFAOYSA-N
XLogP1.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine?
The IUPAC name of N-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine (CID 147656872) is N-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine is CNCC1NCCc2cscc21.
What is the InChIKey of N-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine?
The InChIKey is GKOLVLRTLPEGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-10-4-9-8-6-12-5-7(8)2-3-11-9/h5-6,9-11H,2-4H2,1H3.
What are the key properties of N-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine?
N-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine has a molecular weight of 182.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-4-yl)methanamine is sourced from PubChem (CID 147656872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).