N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine

C15H20N2S — CID 112650189

IUPACN-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccc(CC(C)NCc2ncccc2C)s1
InChIInChI=1S/C15H20N2S/c1-11-5-4-8-16-15(11)10-17-12(2)9-14-7-6-13(3)18-14/h4-8,12,17H,9-10H2,1-3H3
InChIKeyCMYBWXBUUCRDCO-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.48
Rot. Bonds5

About N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine

N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine (PubChem CID 112650189) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
PubChem CID112650189
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccc(CC(C)NCc2ncccc2C)s1
InChIInChI=1S/C15H20N2S/c1-11-5-4-8-16-15(11)10-17-12(2)9-14-7-6-13(3)18-14/h4-8,12,17H,9-10H2,1-3H3
InChIKeyCMYBWXBUUCRDCO-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-2-amine
CID 103910707
1-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 63305633
2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline
CID 66416923
N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 80703134
3-methyl-2-[(3-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 112650240
N-[(3-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 63306075
N-[(1-ethylpyrrol-2-yl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 66444031
2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol
CID 65337637
(1S)-N-[(3-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 103954568
(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544
N-[(3-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 63992103
N-[(5-methylthiophen-2-yl)methyl]-1-phenylpropan-2-amine
CID 63012085

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine (CID 112650189) is N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine is Cc1ccc(CC(C)NCc2ncccc2C)s1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
The InChIKey is CMYBWXBUUCRDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-5-4-8-16-15(11)10-17-12(2)9-14-7-6-13(3)18-14/h4-8,12,17H,9-10H2,1-3H3.
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine?
N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 112650189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).