N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine

C13H17N3S — CID 79244648

IUPACN-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
SMILESCNc1ccnc(CN(C)Cc2cccs2)c1
InChIInChI=1S/C13H17N3S/c1-14-11-5-6-15-12(8-11)9-16(2)10-13-4-3-7-17-13/h3-8H,9-10H2,1-2H3,(H,14,15)
InChIKeyHFRWNAQNOMRXAX-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.82
Rot. Bonds5

About N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine

N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine (PubChem CID 79244648) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
PubChem CID79244648
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
SMILESCNc1ccnc(CN(C)Cc2cccs2)c1
InChIInChI=1S/C13H17N3S/c1-14-11-5-6-15-12(8-11)9-16(2)10-13-4-3-7-17-13/h3-8H,9-10H2,1-2H3,(H,14,15)
InChIKeyHFRWNAQNOMRXAX-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 79255691
N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79245474
2-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-N-propylpyridin-4-amine
CID 79245841
1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine
CID 79259910
2-methyl-N-[[6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106905820
1-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 117041417
N-methyl-2-[[2-methylpropyl(propan-2-yl)amino]methyl]pyridin-4-amine
CID 79244227
2-[methyl-[[4-(methylamino)-2-pyridinyl]methyl]amino]-N-propan-2-ylacetamide
CID 79245478
N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 79259173
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-N-methylpyridin-4-amine
CID 79250925
N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 79259077
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine
CID 79470815

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine?
The IUPAC name of N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine (CID 79244648) is N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine.
What is the SMILES notation for N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine?
The canonical SMILES for N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine is CNc1ccnc(CN(C)Cc2cccs2)c1.
What is the InChIKey of N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine?
The InChIKey is HFRWNAQNOMRXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-14-11-5-6-15-12(8-11)9-16(2)10-13-4-3-7-17-13/h3-8H,9-10H2,1-2H3,(H,14,15).
What are the key properties of N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine?
N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine has a molecular weight of 247.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine is sourced from PubChem (CID 79244648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).