N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine

C14H18N2S — CID 105162051

IUPACN-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine
SMILESCNC(CCc1cccnc1)c1ccc(C)s1
InChIInChI=1S/C14H18N2S/c1-11-5-8-14(17-11)13(15-2)7-6-12-4-3-9-16-10-12/h3-5,8-10,13,15H,6-7H2,1-2H3
InChIKeyHPDMPOPUYZBCCB-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.34
Rot. Bonds5

About N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine

N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine (PubChem CID 105162051) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine
PubChem CID105162051
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine
SMILESCNC(CCc1cccnc1)c1ccc(C)s1
InChIInChI=1S/C14H18N2S/c1-11-5-8-14(17-11)13(15-2)7-6-12-4-3-9-16-10-12/h3-5,8-10,13,15H,6-7H2,1-2H3
InChIKeyHPDMPOPUYZBCCB-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine
CID 105161960
N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine
CID 103030144
N-methyl-1-(3-methylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105090642
1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105140459
3-(4-methoxyphenyl)-N-methyl-1-(5-methylthiophen-2-yl)propan-1-amine
CID 43480428
1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105099694
1-(3,4-dichlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105076807
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 106883832
N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709971
N-ethyl-3-pyridin-3-yl-1-thiophen-2-ylpropan-1-amine
CID 105100649
N-ethyl-1-(4-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105164345
1-(4-methylphenyl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105092564

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine (CID 105162051) is N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine is CNC(CCc1cccnc1)c1ccc(C)s1.
What is the InChIKey of N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine?
The InChIKey is HPDMPOPUYZBCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11-5-8-14(17-11)13(15-2)7-6-12-4-3-9-16-10-12/h3-5,8-10,13,15H,6-7H2,1-2H3.
What are the key properties of N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine?
N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylthiophen-2-yl)-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105162051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).