N-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine

C17H18N2S — CID 62635471

IUPACN-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccc3ncccc3c2)s1
InChIInChI=1S/C17H18N2S/c1-12(2)19-11-15-6-8-17(20-15)14-5-7-16-13(10-14)4-3-9-18-16/h3-10,12,19H,11H2,1-2H3
InChIKeyYYFLFUVYBYYSAN-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.46
Rot. Bonds4

About N-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine

N-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine (PubChem CID 62635471) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine
PubChem CID62635471
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc(-c2ccc3ncccc3c2)s1
InChIInChI=1S/C17H18N2S/c1-12(2)19-11-15-6-8-17(20-15)14-5-7-16-13(10-14)4-3-9-18-16/h3-10,12,19H,11H2,1-2H3
InChIKeyYYFLFUVYBYYSAN-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-quinolin-6-ylthiophen-2-yl)methanamine
CID 62635117
N-ethyl-1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine
CID 62635651
N-[(5-phenylthiophen-2-yl)methyl]propan-2-amine
CID 43213873
1-(5-quinolin-6-ylthiophen-2-yl)propan-1-amine
CID 62634602
2-methyl-N-[(2-quinolin-6-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63096520
N-[1-(2-quinolin-6-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 63095112
N-[[5-(3-bromoquinolin-8-yl)thiophen-2-yl]methyl]propan-2-amine
CID 116785277
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
N-[[5-(3-chloro-5-fluorophenyl)thiophen-2-yl]methyl]propan-2-amine
CID 107368888
2-(propan-2-ylamino)-1-quinolin-6-ylethanone
CID 116554909
(1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine
CID 81388844
N-methyl-1-(5-quinolin-6-ylfuran-2-yl)ethanamine
CID 55097450

Frequently Asked Questions

What is the IUPAC name of N-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine (CID 62635471) is N-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine is CC(C)NCc1ccc(-c2ccc3ncccc3c2)s1.
What is the InChIKey of N-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine?
The InChIKey is YYFLFUVYBYYSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-12(2)19-11-15-6-8-17(20-15)14-5-7-16-13(10-14)4-3-9-18-16/h3-10,12,19H,11H2,1-2H3.
What are the key properties of N-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine?
N-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine has a molecular weight of 282.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-quinolin-6-ylthiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 62635471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).