N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine

C13H22N2S — CID 62427908

IUPACN-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
SMILESCNCCC(C)N1CCc2sccc2C1C
InChIInChI=1S/C13H22N2S/c1-10(4-7-14-3)15-8-5-13-12(11(15)2)6-9-16-13/h6,9-11,14H,4-5,7-8H2,1-3H3
InChIKeyJSSMCXRRVXCZTD-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.67
Rot. Bonds4

About N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine

N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine (PubChem CID 62427908) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
PubChem CID62427908
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
SMILESCNCCC(C)N1CCc2sccc2C1C
InChIInChI=1S/C13H22N2S/c1-10(4-7-14-3)15-8-5-13-12(11(15)2)6-9-16-13/h6,9-11,14H,4-5,7-8H2,1-3H3
InChIKeyJSSMCXRRVXCZTD-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]cyclopropanamine
CID 62427423
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
CID 62427583
N-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethanamine
CID 62428095
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylpentan-1-amine
CID 83055299
2-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylbutan-1-amine
CID 79409785
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanenitrile
CID 60699752
4-methyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine
CID 55011505
(4R)-4-methyl-N-(4-methylpentyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 97024976
N-ethyl-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine
CID 55073629
3-methoxy-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-propan-2-ylpropan-1-amine
CID 103225921
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-thiophen-3-ylethanamine
CID 55011117
3-methoxy-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-amine
CID 103225923

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine?
The IUPAC name of N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine (CID 62427908) is N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine.
What is the SMILES notation for N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine?
The canonical SMILES for N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine is CNCCC(C)N1CCc2sccc2C1C.
What is the InChIKey of N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine?
The InChIKey is JSSMCXRRVXCZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(4-7-14-3)15-8-5-13-12(11(15)2)6-9-16-13/h6,9-11,14H,4-5,7-8H2,1-3H3.
What are the key properties of N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine?
N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-amine is sourced from PubChem (CID 62427908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).