2-(azocan-1-yl)-1-thiophen-2-ylethanamine

C13H22N2S — CID 115287666

IUPAC2-(azocan-1-yl)-1-thiophen-2-ylethanamine
SMILESNC(CN1CCCCCCC1)c1cccs1
InChIInChI=1S/C13H22N2S/c14-12(13-7-6-10-16-13)11-15-8-4-2-1-3-5-9-15/h6-7,10,12H,1-5,8-9,11,14H2
InChIKeyXSNBMYKYNHPNJF-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.01
Rot. Bonds3

About 2-(azocan-1-yl)-1-thiophen-2-ylethanamine

2-(azocan-1-yl)-1-thiophen-2-ylethanamine (PubChem CID 115287666) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 2-(azocan-1-yl)-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(azocan-1-yl)-1-thiophen-2-ylethanamine
PubChem CID115287666
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name2-(azocan-1-yl)-1-thiophen-2-ylethanamine
SMILESNC(CN1CCCCCCC1)c1cccs1
InChIInChI=1S/C13H22N2S/c14-12(13-7-6-10-16-13)11-15-8-4-2-1-3-5-9-15/h6-7,10,12H,1-5,8-9,11,14H2
InChIKeyXSNBMYKYNHPNJF-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(azocan-1-yl)-1-thiophen-2-ylethanamine (CID 115287666) is 2-(azocan-1-yl)-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(azocan-1-yl)-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(azocan-1-yl)-1-thiophen-2-ylethanamine is NC(CN1CCCCCCC1)c1cccs1.
What is the InChIKey of 2-(azocan-1-yl)-1-thiophen-2-ylethanamine?
The InChIKey is XSNBMYKYNHPNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c14-12(13-7-6-10-16-13)11-15-8-4-2-1-3-5-9-15/h6-7,10,12H,1-5,8-9,11,14H2.
What are the key properties of 2-(azocan-1-yl)-1-thiophen-2-ylethanamine?
2-(azocan-1-yl)-1-thiophen-2-ylethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-1-thiophen-2-ylethanamine is sourced from PubChem (CID 115287666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).