3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine

C11H16ClNS — CID 81416251

IUPAC3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNS/c1-3-11(2)7(6-9(11)13)8-4-5-10(12)14-8/h4-5,7,9H,3,6,13H2,1-2H3
InChIKeyHVLQIXNANFJXDV-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.63
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine

3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 81416251) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID81416251
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1c1ccc(Cl)s1
InChIInChI=1S/C11H16ClNS/c1-3-11(2)7(6-9(11)13)8-4-5-10(12)14-8/h4-5,7,9H,3,6,13H2,1-2H3
InChIKeyHVLQIXNANFJXDV-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine (CID 81416251) is 3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine is CCC1(C)C(N)CC1c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is HVLQIXNANFJXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-3-11(2)7(6-9(11)13)8-4-5-10(12)14-8/h4-5,7,9H,3,6,13H2,1-2H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine?
3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 229.78 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 81416251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).