N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine

C17H28N2S — CID 107556037

IUPACN-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN2CCCC3CCCCC32)s1
InChIInChI=1S/C17H28N2S/c1-2-18-12-15-9-10-16(20-15)13-19-11-5-7-14-6-3-4-8-17(14)19/h9-10,14,17-18H,2-8,11-13H2,1H3
InChIKeyWXZQVMYNPSZZQZ-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.01
Rot. Bonds5

About N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine

N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 107556037) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID107556037
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN2CCCC3CCCCC32)s1
InChIInChI=1S/C17H28N2S/c1-2-18-12-15-9-10-16(20-15)13-19-11-5-7-14-6-3-4-8-17(14)19/h9-10,14,17-18H,2-8,11-13H2,1H3
InChIKeyWXZQVMYNPSZZQZ-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556661
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 107556031
N-[[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]furan-3-yl]methyl]ethanamine
CID 102728468
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79772491
2-[1-[(5-ethylthiophen-2-yl)methyl]piperidin-2-yl]cyclohexan-1-ol
CID 114339840
N-[[5-[(2-ethylazepan-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107557439
N-[[6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-pyridinyl]methyl]ethanamine
CID 106907036
N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-5-methylthiophen-2-yl]methyl]propan-1-amine
CID 80721378
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-ethylprop-2-en-1-amine
CID 103070194
N-[[5-[(2-cyclopentylpyrrolidin-1-yl)methyl]oxolan-2-yl]methyl]ethanamine
CID 62435498
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107555469
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107556666

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine (CID 107556037) is N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(CN2CCCC3CCCCC32)s1.
What is the InChIKey of N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is WXZQVMYNPSZZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-2-18-12-15-9-10-16(20-15)13-19-11-5-7-14-6-3-4-8-17(14)19/h9-10,14,17-18H,2-8,11-13H2,1H3.
What are the key properties of N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine?
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 292.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107556037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).