(3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine

C11H17NS — CID 65000256

IUPAC(3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine
SMILESCCC1CC(CN)(c2cccs2)C1
InChIInChI=1S/C11H17NS/c1-2-9-6-11(7-9,8-12)10-4-3-5-13-10/h3-5,9H,2,6-8,12H2,1H3
InChIKeyLOSNOWYRBTVYEK-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.76
Rot. Bonds3

About (3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine

(3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine (PubChem CID 65000256) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine.

Molecular Properties

Compound Name(3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine
PubChem CID65000256
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine
SMILESCCC1CC(CN)(c2cccs2)C1
InChIInChI=1S/C11H17NS/c1-2-9-6-11(7-9,8-12)10-4-3-5-13-10/h3-5,9H,2,6-8,12H2,1H3
InChIKeyLOSNOWYRBTVYEK-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine?
The IUPAC name of (3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine (CID 65000256) is (3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine.
What is the SMILES notation for (3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine?
The canonical SMILES for (3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine is CCC1CC(CN)(c2cccs2)C1.
What is the InChIKey of (3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine?
The InChIKey is LOSNOWYRBTVYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-2-9-6-11(7-9,8-12)10-4-3-5-13-10/h3-5,9H,2,6-8,12H2,1H3.
What are the key properties of (3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine?
(3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine has a molecular weight of 195.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-thiophen-2-ylcyclobutyl)methanamine is sourced from PubChem (CID 65000256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).