6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

C11H16N2S — CID 18800784

IUPAC6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESNC1=NCCCCC1Cc1cccs1
InChIInChI=1S/C11H16N2S/c12-11-9(4-1-2-6-13-11)8-10-5-3-7-14-10/h3,5,7,9H,1-2,4,6,8H2,(H2,12,13)
InChIKeyIBWJBPQLUZALRD-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.45
Rot. Bonds2

About 6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 18800784) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound Name6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID18800784
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESNC1=NCCCCC1Cc1cccs1
InChIInChI=1S/C11H16N2S/c12-11-9(4-1-2-6-13-11)8-10-5-3-7-14-10/h3,5,7,9H,1-2,4,6,8H2,(H2,12,13)
InChIKeyIBWJBPQLUZALRD-UHFFFAOYSA-N
XLogP2.45
TPSA38.38 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of 6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 18800784) is 6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for 6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for 6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is NC1=NCCCCC1Cc1cccs1.
What is the InChIKey of 6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is IBWJBPQLUZALRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c12-11-9(4-1-2-6-13-11)8-10-5-3-7-14-10/h3,5,7,9H,1-2,4,6,8H2,(H2,12,13).
What are the key properties of 6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 208.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiophen-2-ylmethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 18800784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).