N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine

C16H20N2S — CID 81224734

IUPACN-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2cccnc2c1)C1CCCS1
InChIInChI=1S/C16H20N2S/c1-2-17-16(15-6-4-10-19-15)13-8-7-12-5-3-9-18-14(12)11-13/h3,5,7-9,11,15-17H,2,4,6,10H2,1H3
InChIKeyXDRFMGDCGBJKOT-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.78
Rot. Bonds4

About N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine

N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine (PubChem CID 81224734) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine
PubChem CID81224734
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC NameN-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc2cccnc2c1)C1CCCS1
InChIInChI=1S/C16H20N2S/c1-2-17-16(15-6-4-10-19-15)13-8-7-12-5-3-9-18-14(12)11-13/h3,5,7-9,11,15-17H,2,4,6,10H2,1H3
InChIKeyXDRFMGDCGBJKOT-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylcyclopropyl)-quinolin-7-ylmethyl]ethanamine
CID 81231204
N-[(3-methylcyclopentyl)-quinolin-7-ylmethyl]ethanamine
CID 81231066
N-[(4-fluoro-3-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622510
N-ethyl-1-quinolin-7-ylethanamine
CID 81221005
N-[1,4-dioxan-2-yl(quinolin-7-yl)methyl]ethanamine
CID 114286912
[(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine
CID 105259841
N-[(1-methylcyclopentyl)-quinolin-7-ylmethyl]ethanamine
CID 105021674
N-[thiolan-2-yl(thiophen-3-yl)methyl]ethanamine
CID 80626981
N-ethyl-3-quinolin-7-ylbutan-2-amine
CID 81224003
1-cyclooctyl-N-methyl-1-quinolin-7-ylmethanamine
CID 81229901
N-[thiolan-2-yl-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80626863
N-[(4-methyl-3-pyridinyl)-(thiolan-2-yl)methyl]ethanamine
CID 80627741

Frequently Asked Questions

What is the IUPAC name of N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine (CID 81224734) is N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine is CCNC(c1ccc2cccnc2c1)C1CCCS1.
What is the InChIKey of N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine?
The InChIKey is XDRFMGDCGBJKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-17-16(15-6-4-10-19-15)13-8-7-12-5-3-9-18-14(12)11-13/h3,5,7-9,11,15-17H,2,4,6,10H2,1H3.
What are the key properties of N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine?
N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine has a molecular weight of 272.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[quinolin-7-yl(thiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 81224734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).