8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

C12H18N2S — CID 61233281

IUPAC8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1ccsc1
InChIInChI=1S/C12H18N2S/c13-10-5-11-1-2-12(6-10)14(11)7-9-3-4-15-8-9/h3-4,8,10-12H,1-2,5-7,13H2
InChIKeyJPYJCSYXSYIXEI-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.20
Rot. Bonds2

About 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61233281) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61233281
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1ccsc1
InChIInChI=1S/C12H18N2S/c13-10-5-11-1-2-12(6-10)14(11)7-9-3-4-15-8-9/h3-4,8,10-12H,1-2,5-7,13H2
InChIKeyJPYJCSYXSYIXEI-UHFFFAOYSA-N
XLogP2.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 61233281) is 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2Cc1ccsc1.
What is the InChIKey of 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is JPYJCSYXSYIXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c13-10-5-11-1-2-12(6-10)14(11)7-9-3-4-15-8-9/h3-4,8,10-12H,1-2,5-7,13H2.
What are the key properties of 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 222.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61233281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).