2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine

C16H27N3S — CID 81198317

IUPAC2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(CN)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C16H27N3S/c1-12-6-9-20-16(12)15(10-17)19-8-5-14-13(11-19)4-3-7-18(14)2/h6,9,13-15H,3-5,7-8,10-11,17H2,1-2H3
InChIKeyNZAFYDONYQMPRK-UHFFFAOYSA-N
MW293.48 g/mol
LogP2.47
Rot. Bonds3

About 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine

2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine (PubChem CID 81198317) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine
PubChem CID81198317
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(CN)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C16H27N3S/c1-12-6-9-20-16(12)15(10-17)19-8-5-14-13(11-19)4-3-7-18(14)2/h6,9,13-15H,3-5,7-8,10-11,17H2,1-2H3
InChIKeyNZAFYDONYQMPRK-UHFFFAOYSA-N
XLogP2.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine 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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 113335529
2-(3-methylthiophen-2-yl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171808
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]pyrrolidin-3-ol
CID 62942981
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 79941110
2-(2-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81199156
2-(1,5-dimethylpyrazol-4-yl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81199449
2-(3-fluorophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanamine
CID 81199314
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194728
2-(4-cyclopropylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 61440431
2-[4-(methoxymethyl)piperidin-1-yl]-2-(3-methylthiophen-2-yl)ethanamine
CID 63972078
3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-ol
CID 104711109
3-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-amine
CID 81198022

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine (CID 81198317) is 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1C(CN)N1CCC2C(CCCN2C)C1.
What is the InChIKey of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is NZAFYDONYQMPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-12-6-9-20-16(12)15(10-17)19-8-5-14-13(11-19)4-3-7-18(14)2/h6,9,13-15H,3-5,7-8,10-11,17H2,1-2H3.
What are the key properties of 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine?
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 293.48 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 81198317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).