2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine

C17H17N3S — CID 61433950

IUPAC2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(N(Cc3ccsc3)C3CC3)ccc2c1
InChIInChI=1S/C17H17N3S/c18-14-2-5-16-13(9-14)1-6-17(19-16)20(15-3-4-15)10-12-7-8-21-11-12/h1-2,5-9,11,15H,3-4,10,18H2
InChIKeyKITXCJSKPYIXPP-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.05
Rot. Bonds4

About 2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine

2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine (PubChem CID 61433950) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine
PubChem CID61433950
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine
SMILESNc1ccc2nc(N(Cc3ccsc3)C3CC3)ccc2c1
InChIInChI=1S/C17H17N3S/c18-14-2-5-16-13(9-14)1-6-17(19-16)20(15-3-4-15)10-12-7-8-21-11-12/h1-2,5-9,11,15H,3-4,10,18H2
InChIKeyKITXCJSKPYIXPP-UHFFFAOYSA-N
XLogP4.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.05
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-cyclopropyl-2-N-(thiophen-3-ylmethyl)-1,3-benzothiazole-2,6-diamine
CID 63231251
3-N-cyclopropyl-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 61433428
2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
CID 79173041
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
6-bromo-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 116796613
N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80896481
4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine
CID 80779786
4-N-cyclopropyl-4-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325687
4-N-cyclopropyl-2-ethyl-5-methyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80986678
6-N-cyclopropyl-6-N-(thiophen-3-ylmethyl)quinoline-5,6-diamine
CID 61433524
1-N-cyclopropyl-4-fluoro-1-N-(thiophen-3-ylmethyl)benzene-1,2-diamine
CID 61434045
4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
CID 61434027

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine (CID 61433950) is 2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine is Nc1ccc2nc(N(Cc3ccsc3)C3CC3)ccc2c1.
What is the InChIKey of 2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine?
The InChIKey is KITXCJSKPYIXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c18-14-2-5-16-13(9-14)1-6-17(19-16)20(15-3-4-15)10-12-7-8-21-11-12/h1-2,5-9,11,15H,3-4,10,18H2.
What are the key properties of 2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine?
2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine has a molecular weight of 295.41 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)quinoline-2,6-diamine is sourced from PubChem (CID 61433950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).