N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine

C15H25NS — CID 106009527

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CC(C)(C)CC2C)s1
InChIInChI=1S/C15H25NS/c1-5-12-6-7-13(17-12)10-16-14-9-15(3,4)8-11(14)2/h6-7,11,14,16H,5,8-10H2,1-4H3
InChIKeyQGFSCMTUQGZWGB-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.22
Rot. Bonds4

About N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine

N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine (PubChem CID 106009527) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
PubChem CID106009527
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
SMILESCCc1ccc(CNC2CC(C)(C)CC2C)s1
InChIInChI=1S/C15H25NS/c1-5-12-6-7-13(17-12)10-16-14-9-15(3,4)8-11(14)2/h6-7,11,14,16H,5,8-10H2,1-4H3
InChIKeyQGFSCMTUQGZWGB-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine (CID 106009527) is N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine is CCc1ccc(CNC2CC(C)(C)CC2C)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine?
The InChIKey is QGFSCMTUQGZWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-12-6-7-13(17-12)10-16-14-9-15(3,4)8-11(14)2/h6-7,11,14,16H,5,8-10H2,1-4H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine?
N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine is sourced from PubChem (CID 106009527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).