[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine

C15H24N2S — CID 107556033

IUPAC[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(CN2CCC3CCCCC3C2)s1
InChIInChI=1S/C15H24N2S/c16-9-14-5-6-15(18-14)11-17-8-7-12-3-1-2-4-13(12)10-17/h5-6,12-13H,1-4,7-11,16H2
InChIKeyFZKWMIGMIZKRKY-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.22
Rot. Bonds3

About [5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine

[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine (PubChem CID 107556033) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is [5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine
PubChem CID107556033
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(CN2CCC3CCCCC3C2)s1
InChIInChI=1S/C15H24N2S/c16-9-14-5-6-15(18-14)11-17-8-7-12-3-1-2-4-13(12)10-17/h5-6,12-13H,1-4,7-11,16H2
InChIKeyFZKWMIGMIZKRKY-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine with MolForge

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Related Compounds

N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 107556031
[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 107555522
(3R)-1-[[5-(aminomethyl)thiophen-2-yl]methyl]piperidin-3-ol
CID 167916543
[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557056
[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]methanamine
CID 107555516
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107557262
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]aniline
CID 124746618
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)phenol
CID 82973359
[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine
CID 107556962
1-[(5-cyclopentylthiophen-2-yl)methyl]pyrrolidin-3-amine
CID 77092531
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79772211
[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 62018729

Frequently Asked Questions

What is the IUPAC name of [5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine (CID 107556033) is [5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine is NCc1ccc(CN2CCC3CCCCC3C2)s1.
What is the InChIKey of [5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine?
The InChIKey is FZKWMIGMIZKRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c16-9-14-5-6-15(18-14)11-17-8-7-12-3-1-2-4-13(12)10-17/h5-6,12-13H,1-4,7-11,16H2.
What are the key properties of [5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine?
[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine has a molecular weight of 264.44 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 107556033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).