1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine

C13H20ClNS — CID 81025679

IUPAC1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNS/c1-15-9-10-5-3-2-4-6-11(10)12-7-8-13(14)16-12/h7-8,10-11,15H,2-6,9H2,1H3
InChIKeyOUEMJSYFUBPOAO-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.28
Rot. Bonds3

About 1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine

1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine (PubChem CID 81025679) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine
PubChem CID81025679
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNS/c1-15-9-10-5-3-2-4-6-11(10)12-7-8-13(14)16-12/h7-8,10-11,15H,2-6,9H2,1H3
InChIKeyOUEMJSYFUBPOAO-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine (CID 81025679) is 1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine is CNCC1CCCCCC1c1ccc(Cl)s1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine?
The InChIKey is OUEMJSYFUBPOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-15-9-10-5-3-2-4-6-11(10)12-7-8-13(14)16-12/h7-8,10-11,15H,2-6,9H2,1H3.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine?
1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine has a molecular weight of 257.83 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 81025679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).