5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine

C12H21NS — CID 81157828

IUPAC5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine
SMILESCc1cc(C)c(CCC(C)CCN)s1
InChIInChI=1S/C12H21NS/c1-9(6-7-13)4-5-12-10(2)8-11(3)14-12/h8-9H,4-7,13H2,1-3H3
InChIKeyRMLVMFWTUUTUKR-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.28
Rot. Bonds5

About 5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine

5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine (PubChem CID 81157828) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine
PubChem CID81157828
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine
SMILESCc1cc(C)c(CCC(C)CCN)s1
InChIInChI=1S/C12H21NS/c1-9(6-7-13)4-5-12-10(2)8-11(3)14-12/h8-9H,4-7,13H2,1-3H3
InChIKeyRMLVMFWTUUTUKR-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-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 5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine?
The IUPAC name of 5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine (CID 81157828) is 5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine.
What is the SMILES notation for 5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine?
The canonical SMILES for 5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine is Cc1cc(C)c(CCC(C)CCN)s1.
What is the InChIKey of 5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine?
The InChIKey is RMLVMFWTUUTUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-9(6-7-13)4-5-12-10(2)8-11(3)14-12/h8-9H,4-7,13H2,1-3H3.
What are the key properties of 5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine?
5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine has a molecular weight of 211.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylthiophen-2-yl)-3-methylpentan-1-amine is sourced from PubChem (CID 81157828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).