N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine

C17H25N3S — CID 79490150

IUPACN-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
SMILESCCCNCc1cccc(N(C)C(C)Cc2cccs2)n1
InChIInChI=1S/C17H25N3S/c1-4-10-18-13-15-7-5-9-17(19-15)20(3)14(2)12-16-8-6-11-21-16/h5-9,11,14,18H,4,10,12-13H2,1-3H3
InChIKeyJSYAWBIXOBTGIU-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.71
Rot. Bonds8

About N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine

N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine (PubChem CID 79490150) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
PubChem CID79490150
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC NameN-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
SMILESCCCNCc1cccc(N(C)C(C)Cc2cccs2)n1
InChIInChI=1S/C17H25N3S/c1-4-10-18-13-15-7-5-9-17(19-15)20(3)14(2)12-16-8-6-11-21-16/h5-9,11,14,18H,4,10,12-13H2,1-3H3
InChIKeyJSYAWBIXOBTGIU-UHFFFAOYSA-N
XLogP3.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 79490143
6-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79490139
3-N-methyl-1-N-propyl-3-N-(1-thiophen-2-ylpropan-2-yl)butane-1,3-diamine
CID 79493690
4-N,2-dimethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80836659
N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 106906849
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106963014
N-[[6-(propylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 11501840
N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 114204286
N-cyclopentyl-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62278994
5-(2-aminopropyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 80634325
2-N,4-N,6-trimethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80850116
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine (CID 79490150) is N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine is CCCNCc1cccc(N(C)C(C)Cc2cccs2)n1.
What is the InChIKey of N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is JSYAWBIXOBTGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-10-18-13-15-7-5-9-17(19-15)20(3)14(2)12-16-8-6-11-21-16/h5-9,11,14,18H,4,10,12-13H2,1-3H3.
What are the key properties of N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine?
N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 303.48 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(propylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 79490150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).