N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine

C11H16N2S — CID 79508912

IUPACN-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(NC1=NCCCC1)c1ccsc1
InChIInChI=1S/C11H16N2S/c1-9(10-5-7-14-8-10)13-11-4-2-3-6-12-11/h5,7-9H,2-4,6H2,1H3,(H,12,13)
InChIKeyWYCJYPCONLIVHW-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.98
Rot. Bonds2

About N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine

N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine (PubChem CID 79508912) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine.

Molecular Properties

Compound NameN-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine
PubChem CID79508912
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC NameN-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine
SMILESCC(NC1=NCCCC1)c1ccsc1
InChIInChI=1S/C11H16N2S/c1-9(10-5-7-14-8-10)13-11-4-2-3-6-12-11/h5,7-9H,2-4,6H2,1H3,(H,12,13)
InChIKeyWYCJYPCONLIVHW-UHFFFAOYSA-N
XLogP2.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The IUPAC name of N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine (CID 79508912) is N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine.
What is the SMILES notation for N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The canonical SMILES for N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine is CC(NC1=NCCCC1)c1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine?
The InChIKey is WYCJYPCONLIVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-9(10-5-7-14-8-10)13-11-4-2-3-6-12-11/h5,7-9H,2-4,6H2,1H3,(H,12,13).
What are the key properties of N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine?
N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine has a molecular weight of 208.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine is sourced from PubChem (CID 79508912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).