5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine

C16H17N3S — CID 61436706

IUPAC5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine
SMILESCCN(Cc1cccs1)c1ccc(N)c2ncccc12
InChIInChI=1S/C16H17N3S/c1-2-19(11-12-5-4-10-20-12)15-8-7-14(17)16-13(15)6-3-9-18-16/h3-10H,2,11,17H2,1H3
InChIKeyOSFHNOTVDZOZHU-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.90
Rot. Bonds4

About 5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine

5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine (PubChem CID 61436706) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine
PubChem CID61436706
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine
SMILESCCN(Cc1cccs1)c1ccc(N)c2ncccc12
InChIInChI=1S/C16H17N3S/c1-2-19(11-12-5-4-10-20-12)15-8-7-14(17)16-13(15)6-3-9-18-16/h3-10H,2,11,17H2,1H3
InChIKeyOSFHNOTVDZOZHU-UHFFFAOYSA-N
XLogP3.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
4-N-ethyl-4-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61436657
1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61436608
2-[(8-aminoquinolin-5-yl)-(cyanomethyl)amino]acetonitrile
CID 43382828
3-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61437900
4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79915736
4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 55190702
5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine
CID 43382839
5-N-methyl-5-N-(1,3-thiazol-4-ylmethyl)quinoline-5,8-diamine
CID 55013762
8-N-(2-thiophen-2-ylethyl)quinoline-5,8-diamine
CID 43450134
1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 61437248
5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine
CID 43563386

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine?
The IUPAC name of 5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine (CID 61436706) is 5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine.
What is the SMILES notation for 5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine?
The canonical SMILES for 5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine is CCN(Cc1cccs1)c1ccc(N)c2ncccc12.
What is the InChIKey of 5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine?
The InChIKey is OSFHNOTVDZOZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-19(11-12-5-4-10-20-12)15-8-7-14(17)16-13(15)6-3-9-18-16/h3-10H,2,11,17H2,1H3.
What are the key properties of 5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine?
5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine has a molecular weight of 283.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-5-N-(thiophen-2-ylmethyl)quinoline-5,8-diamine is sourced from PubChem (CID 61436706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).