N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine

C16H27NS — CID 106662147

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCc1cc(C(C)NC2CC(C)(C)CC2C)c(C)s1
InChIInChI=1S/C16H27NS/c1-10-8-16(5,6)9-15(10)17-12(3)14-7-11(2)18-13(14)4/h7,10,12,15,17H,8-9H2,1-6H3
InChIKeyUOLWAWNERAOKIN-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.84
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 106662147) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine
PubChem CID106662147
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCc1cc(C(C)NC2CC(C)(C)CC2C)c(C)s1
InChIInChI=1S/C16H27NS/c1-10-8-16(5,6)9-15(10)17-12(3)14-7-11(2)18-13(14)4/h7,10,12,15,17H,8-9H2,1-6H3
InChIKeyUOLWAWNERAOKIN-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine (CID 106662147) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine is Cc1cc(C(C)NC2CC(C)(C)CC2C)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is UOLWAWNERAOKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-10-8-16(5,6)9-15(10)17-12(3)14-7-11(2)18-13(14)4/h7,10,12,15,17H,8-9H2,1-6H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106662147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).