3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine

C15H20ClN3S — CID 29256257

IUPAC3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine
SMILESCCN(CC)c1ncccc1CNCc1ccc(Cl)s1
InChIInChI=1S/C15H20ClN3S/c1-3-19(4-2)15-12(6-5-9-18-15)10-17-11-13-7-8-14(16)20-13/h5-9,17H,3-4,10-11H2,1-2H3
InChIKeyNXWQKILJBCFNKC-UHFFFAOYSA-N
MW309.87 g/mol
LogP3.93
Rot. Bonds7

About 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine

3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine (PubChem CID 29256257) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine.

Molecular Properties

Compound Name3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine
PubChem CID29256257
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine
SMILESCCN(CC)c1ncccc1CNCc1ccc(Cl)s1
InChIInChI=1S/C15H20ClN3S/c1-3-19(4-2)15-12(6-5-9-18-15)10-17-11-13-7-8-14(16)20-13/h5-9,17H,3-4,10-11H2,1-2H3
InChIKeyNXWQKILJBCFNKC-UHFFFAOYSA-N
XLogP3.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine?
The IUPAC name of 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine (CID 29256257) is 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine.
What is the SMILES notation for 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine?
The canonical SMILES for 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine is CCN(CC)c1ncccc1CNCc1ccc(Cl)s1.
What is the InChIKey of 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine?
The InChIKey is NXWQKILJBCFNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-3-19(4-2)15-12(6-5-9-18-15)10-17-11-13-7-8-14(16)20-13/h5-9,17H,3-4,10-11H2,1-2H3.
What are the key properties of 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine?
3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine has a molecular weight of 309.87 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chlorothiophen-2-yl)methylamino]methyl]-N,N-diethylpyridin-2-amine is sourced from PubChem (CID 29256257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).