N,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine

C15H25NS — CID 81418073

IUPACN,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine
SMILESCCNC1CC(c2sccc2C)C1(CC)CC
InChIInChI=1S/C15H25NS/c1-5-15(6-2)12(10-13(15)16-7-3)14-11(4)8-9-17-14/h8-9,12-13,16H,5-7,10H2,1-4H3
InChIKeyQVMWXGAMGIOXPR-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.33
Rot. Bonds5

About N,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine

N,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine (PubChem CID 81418073) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound NameN,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine
PubChem CID81418073
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine
SMILESCCNC1CC(c2sccc2C)C1(CC)CC
InChIInChI=1S/C15H25NS/c1-5-15(6-2)12(10-13(15)16-7-3)14-11(4)8-9-17-14/h8-9,12-13,16H,5-7,10H2,1-4H3
InChIKeyQVMWXGAMGIOXPR-UHFFFAOYSA-N
XLogP4.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine?
The IUPAC name of N,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine (CID 81418073) is N,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine.
What is the SMILES notation for N,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine?
The canonical SMILES for N,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine is CCNC1CC(c2sccc2C)C1(CC)CC.
What is the InChIKey of N,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine?
The InChIKey is QVMWXGAMGIOXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-15(6-2)12(10-13(15)16-7-3)14-11(4)8-9-17-14/h8-9,12-13,16H,5-7,10H2,1-4H3.
What are the key properties of N,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine?
N,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-triethyl-3-(3-methylthiophen-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 81418073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).