1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine

C16H27NOS — CID 103556474

IUPAC1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)c1ccc(C(C)(C)C)s1
InChIInChI=1S/C16H27NOS/c1-15(2,3)14-8-7-13(19-14)12(17-4)11-16(18-5)9-6-10-16/h7-8,12,17H,6,9-11H2,1-5H3
InChIKeyIHSCZUCECZWFDP-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.27
Rot. Bonds5

About 1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine

1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine (PubChem CID 103556474) has the molecular formula C16H27NOS and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
PubChem CID103556474
Molecular FormulaC16H27NOS
Molecular Weight281.47 g/mol
Exact Mass281.18
IUPAC Name1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)c1ccc(C(C)(C)C)s1
InChIInChI=1S/C16H27NOS/c1-15(2,3)14-8-7-13(19-14)12(17-4)11-16(18-5)9-6-10-16/h7-8,12,17H,6,9-11H2,1-5H3
InChIKeyIHSCZUCECZWFDP-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methoxycyclobutyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 103556298
1-(2,5-dimethylthiophen-3-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556185
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556211
2-(1-methoxycyclobutyl)-N-methyl-1-[4-(2-methylbutan-2-yl)phenyl]ethanamine
CID 103556409
2-(1-methoxycyclobutyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 103556168
1-(3-chlorophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103559094
1-(2,5-dibromophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556161
1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556182
2-(1-methoxycyclobutyl)-1-(4-methoxy-2-methylphenyl)-N-methylethanamine
CID 103556166
1-(3-chloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103556153
1-(5-chlorothiophen-2-yl)-2-(1-methoxycyclobutyl)ethanol
CID 103557536
2-bromo-5-[1-bromo-2-(1-methoxycyclobutyl)ethyl]thiophene
CID 103557781

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine (CID 103556474) is 1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine is CNC(CC1(OC)CCC1)c1ccc(C(C)(C)C)s1.
What is the InChIKey of 1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The InChIKey is IHSCZUCECZWFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-15(2,3)14-8-7-13(19-14)12(17-4)11-16(18-5)9-6-10-16/h7-8,12,17H,6,9-11H2,1-5H3.
What are the key properties of 1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine has a molecular weight of 281.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylthiophen-2-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 103556474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).