N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine

C14H23NOS — CID 66350806

IUPACN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine
SMILESCC(C)COC1CC(Nc2ccsc2)C1(C)C
InChIInChI=1S/C14H23NOS/c1-10(2)8-16-13-7-12(14(13,3)4)15-11-5-6-17-9-11/h5-6,9-10,12-13,15H,7-8H2,1-4H3
InChIKeyGTABPYVYIPQLOC-UHFFFAOYSA-N
MW253.41 g/mol
LogP4.00
Rot. Bonds5

About N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine (PubChem CID 66350806) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine
PubChem CID66350806
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine
SMILESCC(C)COC1CC(Nc2ccsc2)C1(C)C
InChIInChI=1S/C14H23NOS/c1-10(2)8-16-13-7-12(14(13,3)4)15-11-5-6-17-9-11/h5-6,9-10,12-13,15H,7-8H2,1-4H3
InChIKeyGTABPYVYIPQLOC-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine?
The IUPAC name of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine (CID 66350806) is N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine.
What is the SMILES notation for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine?
The canonical SMILES for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine is CC(C)COC1CC(Nc2ccsc2)C1(C)C.
What is the InChIKey of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine?
The InChIKey is GTABPYVYIPQLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-10(2)8-16-13-7-12(14(13,3)4)15-11-5-6-17-9-11/h5-6,9-10,12-13,15H,7-8H2,1-4H3.
What are the key properties of N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine?
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine has a molecular weight of 253.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]thiophen-3-amine is sourced from PubChem (CID 66350806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).