N-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine

C11H17NS — CID 130735161

IUPACN-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine
SMILESCc1cscc1NC1CC(C)C1C
InChIInChI=1S/C11H17NS/c1-7-4-10(9(7)3)12-11-6-13-5-8(11)2/h5-7,9-10,12H,4H2,1-3H3
InChIKeyONFLHZASQMIABM-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.51
Rot. Bonds2

About N-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine

N-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine (PubChem CID 130735161) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine
PubChem CID130735161
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine
SMILESCc1cscc1NC1CC(C)C1C
InChIInChI=1S/C11H17NS/c1-7-4-10(9(7)3)12-11-6-13-5-8(11)2/h5-7,9-10,12H,4H2,1-3H3
InChIKeyONFLHZASQMIABM-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(difluoromethyl)cyclobutyl]-4-methylthiophen-3-amine
CID 126999850
N-[(3,3-difluorocyclobutyl)methyl]-4-methylthiophen-3-amine
CID 131162895
4-methyl-N-(2-methylpropyl)thiophen-3-amine
CID 53700064
N-(2-ethylhexyl)thiophen-3-amine
CID 59584057
N,4-dimethylthiophen-3-amine;ethane
CID 145606982
N-(2-methylpentyl)thiophen-3-amine
CID 66350340
N-(4-methylpentan-2-yl)thiophen-3-amine
CID 66350556
N-(3-methylpentan-2-yl)thiophen-3-amine
CID 66350579
N-(5-methylheptan-3-yl)thiophen-3-amine
CID 66351248
N-(5-methylhexan-2-yl)thiophen-3-amine
CID 66352118
N-(2-ethylbutyl)thiophen-3-amine
CID 66352345
N-(1-cyclopentylethyl)thiophen-3-amine
CID 66352517

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine?
The IUPAC name of N-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine (CID 130735161) is N-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine.
What is the SMILES notation for N-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine?
The canonical SMILES for N-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine is Cc1cscc1NC1CC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine?
The InChIKey is ONFLHZASQMIABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-7-4-10(9(7)3)12-11-6-13-5-8(11)2/h5-7,9-10,12H,4H2,1-3H3.
What are the key properties of N-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine?
N-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine has a molecular weight of 195.33 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclobutyl)-4-methylthiophen-3-amine is sourced from PubChem (CID 130735161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).