N-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine

C16H24N2S — CID 80725454

IUPACN-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine
SMILESCC1(CNCc2cccc3c2NCCC3)CCCS1
InChIInChI=1S/C16H24N2S/c1-16(8-4-10-19-16)12-17-11-14-6-2-5-13-7-3-9-18-15(13)14/h2,5-6,17-18H,3-4,7-12H2,1H3
InChIKeyXEDTXWRUZQIIFV-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.42
Rot. Bonds4

About N-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine

N-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine (PubChem CID 80725454) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine
PubChem CID80725454
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine
SMILESCC1(CNCc2cccc3c2NCCC3)CCCS1
InChIInChI=1S/C16H24N2S/c1-16(8-4-10-19-16)12-17-11-14-6-2-5-13-7-3-9-18-15(13)14/h2,5-6,17-18H,3-4,7-12H2,1H3
InChIKeyXEDTXWRUZQIIFV-UHFFFAOYSA-N
XLogP3.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyloxolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine
CID 80645750
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
CID 80649952
[1-[(2,3-dihydro-1H-indol-7-ylmethylamino)methyl]cyclopropyl]methanol
CID 113313189
1-(2-chloro-3-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 112652185
1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528627
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
N,N,2,2-tetramethyl-N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propane-1,3-diamine
CID 80649623
1-(1-benzofuran-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80723834
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
CID 80649535
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine (CID 80725454) is N-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine is CC1(CNCc2cccc3c2NCCC3)CCCS1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is XEDTXWRUZQIIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-16(8-4-10-19-16)12-17-11-14-6-2-5-13-7-3-9-18-15(13)14/h2,5-6,17-18H,3-4,7-12H2,1H3.
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine?
N-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine has a molecular weight of 276.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 80725454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).