4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine

C17H23N3S — CID 105074166

IUPAC4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
SMILESCC(Cc1cccs1)N(C)c1cnccc1CNC1CC1
InChIInChI=1S/C17H23N3S/c1-13(10-16-4-3-9-21-16)20(2)17-12-18-8-7-14(17)11-19-15-5-6-15/h3-4,7-9,12-13,15,19H,5-6,10-11H2,1-2H3
InChIKeyLENJOKOWFXKKAT-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.46
Rot. Bonds7

About 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine

4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine (PubChem CID 105074166) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
PubChem CID105074166
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
SMILESCC(Cc1cccs1)N(C)c1cnccc1CNC1CC1
InChIInChI=1S/C17H23N3S/c1-13(10-16-4-3-9-21-16)20(2)17-12-18-8-7-14(17)11-19-15-5-6-15/h3-4,7-9,12-13,15,19H,5-6,10-11H2,1-2H3
InChIKeyLENJOKOWFXKKAT-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine
CID 105072999
5-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 107380520
6-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 79490139
4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073052
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
4-[(cyclopropylamino)methyl]-N-ethyl-N-(4-methylphenyl)pyridin-3-amine
CID 105073338
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010
4-N-methyl-1-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)cyclohexane-1,4-diamine
CID 114763468
N-cyclopropyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073669
N-[[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]cyclopropanamine
CID 66152012
N-[[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 79490840
3-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62280283

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine (CID 105074166) is 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine is CC(Cc1cccs1)N(C)c1cnccc1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine?
The InChIKey is LENJOKOWFXKKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13(10-16-4-3-9-21-16)20(2)17-12-18-8-7-14(17)11-19-15-5-6-15/h3-4,7-9,12-13,15,19H,5-6,10-11H2,1-2H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine?
4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine has a molecular weight of 301.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine is sourced from PubChem (CID 105074166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).