6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine

C14H17N3S — CID 79243021

IUPAC6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine
SMILESNc1cccc(CN(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C14H17N3S/c15-14-3-1-2-12(16-14)9-17(13-4-5-13)8-11-6-7-18-10-11/h1-3,6-7,10,13H,4-5,8-9H2,(H2,15,16)
InChIKeyLVQWSTZBSKUWFV-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.89
Rot. Bonds5

About 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine

6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine (PubChem CID 79243021) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine
PubChem CID79243021
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine
SMILESNc1cccc(CN(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C14H17N3S/c15-14-3-1-2-12(16-14)9-17(13-4-5-13)8-11-6-7-18-10-11/h1-3,6-7,10,13H,4-5,8-9H2,(H2,15,16)
InChIKeyLVQWSTZBSKUWFV-UHFFFAOYSA-N
XLogP2.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 106906235
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62436984
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
4-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484067
4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583083
2-amino-4-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
CID 61434075
N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 71884001
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
4-amino-2-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]phenol
CID 61434027
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219

Frequently Asked Questions

What is the IUPAC name of 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine?
The IUPAC name of 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine (CID 79243021) is 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine?
The canonical SMILES for 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine is Nc1cccc(CN(Cc2ccsc2)C2CC2)n1.
What is the InChIKey of 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine?
The InChIKey is LVQWSTZBSKUWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c15-14-3-1-2-12(16-14)9-17(13-4-5-13)8-11-6-7-18-10-11/h1-3,6-7,10,13H,4-5,8-9H2,(H2,15,16).
What are the key properties of 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine?
6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine has a molecular weight of 259.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 79243021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).