N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine

C12H14N2S — CID 4720495

IUPACN-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCc1ccsc1CNCc1ccccn1
InChIInChI=1S/C12H14N2S/c1-10-5-7-15-12(10)9-13-8-11-4-2-3-6-14-11/h2-7,13H,8-9H2,1H3
InChIKeyOHMXZQHFVOIBPX-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.74
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine

N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 4720495) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID4720495
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCc1ccsc1CNCc1ccccn1
InChIInChI=1S/C12H14N2S/c1-10-5-7-15-12(10)9-13-8-11-4-2-3-6-14-11/h2-7,13H,8-9H2,1H3
InChIKeyOHMXZQHFVOIBPX-UHFFFAOYSA-N
XLogP2.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine (CID 4720495) is N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine is Cc1ccsc1CNCc1ccccn1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is OHMXZQHFVOIBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-10-5-7-15-12(10)9-13-8-11-4-2-3-6-14-11/h2-7,13H,8-9H2,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine?
N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 218.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 4720495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).