2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine

C13H19ClN2S — CID 112740228

IUPAC2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine
SMILESCN(Cc1ccc(Cl)s1)C1(CN)CCC2CC21
InChIInChI=1S/C13H19ClN2S/c1-16(7-10-2-3-12(14)17-10)13(8-15)5-4-9-6-11(9)13/h2-3,9,11H,4-8,15H2,1H3
InChIKeyVXOLUQKUINAAKQ-UHFFFAOYSA-N
MW270.83 g/mol
LogP2.96
Rot. Bonds4

About 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine

2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine (PubChem CID 112740228) has the molecular formula C13H19ClN2S and a molecular weight of 270.83 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine
PubChem CID112740228
Molecular FormulaC13H19ClN2S
Molecular Weight270.83 g/mol
Exact Mass270.10
IUPAC Name2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine
SMILESCN(Cc1ccc(Cl)s1)C1(CN)CCC2CC21
InChIInChI=1S/C13H19ClN2S/c1-16(7-10-2-3-12(14)17-10)13(8-15)5-4-9-6-11(9)13/h2-3,9,11H,4-8,15H2,1H3
InChIKeyVXOLUQKUINAAKQ-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-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 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine?
The IUPAC name of 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine (CID 112740228) is 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine is CN(Cc1ccc(Cl)s1)C1(CN)CCC2CC21.
What is the InChIKey of 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine?
The InChIKey is VXOLUQKUINAAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S/c1-16(7-10-2-3-12(14)17-10)13(8-15)5-4-9-6-11(9)13/h2-3,9,11H,4-8,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine?
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine has a molecular weight of 270.83 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine is sourced from PubChem (CID 112740228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).