N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C16H21N3S — CID 106906235

IUPACN-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESCNCc1cccc(CN(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C16H21N3S/c1-17-9-14-3-2-4-15(18-14)11-19(16-5-6-16)10-13-7-8-20-12-13/h2-4,7-8,12,16-17H,5-6,9-11H2,1H3
InChIKeyVKMLLHKYJOFIPC-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.03
Rot. Bonds7

About N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 106906235) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID106906235
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESCNCc1cccc(CN(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C16H21N3S/c1-17-9-14-3-2-4-15(18-14)11-19(16-5-6-16)10-13-7-8-20-12-13/h2-4,7-8,12,16-17H,5-6,9-11H2,1H3
InChIKeyVKMLLHKYJOFIPC-UHFFFAOYSA-N
XLogP3.03
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 79243021
N-cyclopropyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 107379600
N-[[3-(methylaminomethyl)furan-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62435394
N'-cyclopropyl-N-methyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61435554
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62436984
N-cyclopropyl-4-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrimidin-2-amine
CID 83185445
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583083
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 107556382
N-cyclopropyl-4-(methoxymethyl)-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 107510098

Frequently Asked Questions

What is the IUPAC name of N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 106906235) is N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is CNCc1cccc(CN(Cc2ccsc2)C2CC2)n1.
What is the InChIKey of N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is VKMLLHKYJOFIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-17-9-14-3-2-4-15(18-14)11-19(16-5-6-16)10-13-7-8-20-12-13/h2-4,7-8,12,16-17H,5-6,9-11H2,1H3.
What are the key properties of N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 287.43 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106906235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).