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

C13H16N2S — CID 114289826

IUPAC3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESc1csc(CNCCCc2ccncc2)c1
InChIInChI=1S/C13H16N2S/c1(3-12-5-8-14-9-6-12)7-15-11-13-4-2-10-16-13/h2,4-6,8-10,15H,1,3,7,11H2
InChIKeySPQMSYZLGGWXEI-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.87
Rot. Bonds6

About 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine

3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 114289826) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID114289826
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESc1csc(CNCCCc2ccncc2)c1
InChIInChI=1S/C13H16N2S/c1(3-12-5-8-14-9-6-12)7-15-11-13-4-2-10-16-13/h2,4-6,8-10,15H,1,3,7,11H2
InChIKeySPQMSYZLGGWXEI-UHFFFAOYSA-N
XLogP2.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28646753
N-benzyl-3-thiophen-2-ylpropan-1-amine
CID 83456686
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
4-[2-(thiophen-2-ylmethylamino)ethyl]aniline
CID 61150605
3-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propan-1-amine;hydrochloride
CID 17123333
2-[3-(thiophen-2-ylmethylamino)propylamino]ethanol;dihydrochloride
CID 17213960
3-(1,3-benzothiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 83961875
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 65092881
N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 62759033
N-(furan-3-ylmethyl)-3-thiophen-2-ylpropan-1-amine
CID 115883665
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 114289826) is 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine is c1csc(CNCCCc2ccncc2)c1.
What is the InChIKey of 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is SPQMSYZLGGWXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1(3-12-5-8-14-9-6-12)7-15-11-13-4-2-10-16-13/h2,4-6,8-10,15H,1,3,7,11H2.
What are the key properties of 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 232.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 114289826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).