1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine

C13H16N2S — CID 115654583

IUPAC1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCCC(NCc1cccs1)c1ccncc1
InChIInChI=1S/C13H16N2S/c1-2-13(11-5-7-14-8-6-11)15-10-12-4-3-9-16-12/h3-9,13,15H,2,10H2,1H3
InChIKeyCQDDRRXLCSKELS-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.38
Rot. Bonds5

About 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine

1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 115654583) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID115654583
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESCCC(NCc1cccs1)c1ccncc1
InChIInChI=1S/C13H16N2S/c1-2-13(11-5-7-14-8-6-11)15-10-12-4-3-9-16-12/h3-9,13,15H,2,10H2,1H3
InChIKeyCQDDRRXLCSKELS-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-pyridin-4-yl-2-thiophen-2-ylethyl)hydrazine
CID 105196601
1-pyridin-4-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 43195171
(2R,3S)-3-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 28669346
1,2-diphenyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43079612
4-[2-hydroxy-1-(thiophen-2-ylmethylamino)ethyl]phenol
CID 61054801
1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61285407
1-(4-ethylphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43310046
1-(5-ethylthiophen-2-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380761
1-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379558
(2R)-1-methoxy-N-(thiophen-2-ylmethyl)butan-2-amine
CID 95366277
N-[(1R)-1-pyridin-4-ylpropyl]hydroxylamine
CID 130707242
N-(1-pyridin-4-ylpropyl)pentan-3-amine
CID 115723436

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 115654583) is 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine is CCC(NCc1cccs1)c1ccncc1.
What is the InChIKey of 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is CQDDRRXLCSKELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-2-13(11-5-7-14-8-6-11)15-10-12-4-3-9-16-12/h3-9,13,15H,2,10H2,1H3.
What are the key properties of 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 232.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 115654583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).