N,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine

C14H23NS — CID 81416823

IUPACN,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine
SMILESCCNC1CC(c2ccsc2)C1(CC)CC
InChIInChI=1S/C14H23NS/c1-4-14(5-2)12(9-13(14)15-6-3)11-7-8-16-10-11/h7-8,10,12-13,15H,4-6,9H2,1-3H3
InChIKeyNBKIHWJVQNTACK-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.02
Rot. Bonds5

About N,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine

N,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine (PubChem CID 81416823) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine
PubChem CID81416823
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine
SMILESCCNC1CC(c2ccsc2)C1(CC)CC
InChIInChI=1S/C14H23NS/c1-4-14(5-2)12(9-13(14)15-6-3)11-7-8-16-10-11/h7-8,10,12-13,15H,4-6,9H2,1-3H3
InChIKeyNBKIHWJVQNTACK-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,2,2-triethyl-3-thiophen-3-ylcyclobutan-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 N,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine?
The IUPAC name of N,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine (CID 81416823) is N,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine.
What is the SMILES notation for N,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine?
The canonical SMILES for N,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine is CCNC1CC(c2ccsc2)C1(CC)CC.
What is the InChIKey of N,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine?
The InChIKey is NBKIHWJVQNTACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-14(5-2)12(9-13(14)15-6-3)11-7-8-16-10-11/h7-8,10,12-13,15H,4-6,9H2,1-3H3.
What are the key properties of N,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine?
N,2,2-triethyl-3-thiophen-3-ylcyclobutan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 4.02, 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-thiophen-3-ylcyclobutan-1-amine is sourced from PubChem (CID 81416823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).