5-cycloheptylthiophen-2-amine

C11H17NS — CID 98773907

IUPAC5-cycloheptylthiophen-2-amine
SMILESNc1ccc(C2CCCCCC2)s1
InChIInChI=1S/C11H17NS/c12-11-8-7-10(13-11)9-5-3-1-2-4-6-9/h7-9H,1-6,12H2
InChIKeyRVFGEYXGICORPL-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.77
Rot. Bonds1

About 5-cycloheptylthiophen-2-amine

5-cycloheptylthiophen-2-amine (PubChem CID 98773907) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 5-cycloheptylthiophen-2-amine.

Molecular Properties

Compound Name5-cycloheptylthiophen-2-amine
PubChem CID98773907
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name5-cycloheptylthiophen-2-amine
SMILESNc1ccc(C2CCCCCC2)s1
InChIInChI=1S/C11H17NS/c12-11-8-7-10(13-11)9-5-3-1-2-4-6-9/h7-9H,1-6,12H2
InChIKeyRVFGEYXGICORPL-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cycloheptylthiophen-2-amine?
The IUPAC name of 5-cycloheptylthiophen-2-amine (CID 98773907) is 5-cycloheptylthiophen-2-amine.
What is the SMILES notation for 5-cycloheptylthiophen-2-amine?
The canonical SMILES for 5-cycloheptylthiophen-2-amine is Nc1ccc(C2CCCCCC2)s1.
What is the InChIKey of 5-cycloheptylthiophen-2-amine?
The InChIKey is RVFGEYXGICORPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c12-11-8-7-10(13-11)9-5-3-1-2-4-6-9/h7-9H,1-6,12H2.
What are the key properties of 5-cycloheptylthiophen-2-amine?
5-cycloheptylthiophen-2-amine has a molecular weight of 195.33 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptylthiophen-2-amine is sourced from PubChem (CID 98773907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).