1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

C16H17N3S — CID 65380354

IUPAC1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(NCc1cccs1)c1ccc2ncccc2c1
InChIInChI=1S/C16H17N3S/c17-10-16(19-11-14-4-2-8-20-14)13-5-6-15-12(9-13)3-1-7-18-15/h1-9,16,19H,10-11,17H2
InChIKeyATHDCHRGLIYMND-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.09
Rot. Bonds5

About 1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine

1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 65380354) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID65380354
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESNCC(NCc1cccs1)c1ccc2ncccc2c1
InChIInChI=1S/C16H17N3S/c17-10-16(19-11-14-4-2-8-20-14)13-5-6-15-12(9-13)3-1-7-18-15/h1-9,16,19H,10-11,17H2
InChIKeyATHDCHRGLIYMND-UHFFFAOYSA-N
XLogP3.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677
1-quinolin-6-yl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 65377807
N-methyl-1-quinolin-6-yl-4-thiophen-2-ylbutan-1-amine
CID 105172395
3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol
CID 65378237
1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379558
1-(3-chloro-4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 81146340
2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol
CID 105379249
2-quinolin-6-ylpropan-1-amine
CID 79002101
N-(thiophen-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 65379559
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
N-methyl-1-quinolin-7-yl-4-thiophen-2-ylbutan-1-amine
CID 105172657
1-(1-phenylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379955

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 65380354) is 1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is NCC(NCc1cccs1)c1ccc2ncccc2c1.
What is the InChIKey of 1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ATHDCHRGLIYMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c17-10-16(19-11-14-4-2-8-20-14)13-5-6-15-12(9-13)3-1-7-18-15/h1-9,16,19H,10-11,17H2.
What are the key properties of 1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine?
1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 283.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-6-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 65380354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).