2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine

C12H19NS — CID 79857921

IUPAC2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine
SMILESCc1cc(C2(N)CCCC2(C)C)cs1
InChIInChI=1S/C12H19NS/c1-9-7-10(8-14-9)12(13)6-4-5-11(12,2)3/h7-8H,4-6,13H2,1-3H3
InChIKeyVGCMRFZQPSOLCB-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.42
Rot. Bonds1

About 2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine

2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine (PubChem CID 79857921) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine
PubChem CID79857921
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine
SMILESCc1cc(C2(N)CCCC2(C)C)cs1
InChIInChI=1S/C12H19NS/c1-9-7-10(8-14-9)12(13)6-4-5-11(12,2)3/h7-8H,4-6,13H2,1-3H3
InChIKeyVGCMRFZQPSOLCB-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-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 2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine (CID 79857921) is 2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine is Cc1cc(C2(N)CCCC2(C)C)cs1.
What is the InChIKey of 2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine?
The InChIKey is VGCMRFZQPSOLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-9-7-10(8-14-9)12(13)6-4-5-11(12,2)3/h7-8H,4-6,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine?
2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(5-methylthiophen-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 79857921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).