(1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine

C11H17NS — CID 130554204

IUPAC(1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine
SMILESCCC1(C(N)c2ccsc2C)CC1
InChIInChI=1S/C11H17NS/c1-3-11(5-6-11)10(12)9-4-7-13-8(9)2/h4,7,10H,3,5-6,12H2,1-2H3
InChIKeyAXLKRRWTOYJHNS-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.25
Rot. Bonds3

About (1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine

(1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine (PubChem CID 130554204) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine
PubChem CID130554204
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine
SMILESCCC1(C(N)c2ccsc2C)CC1
InChIInChI=1S/C11H17NS/c1-3-11(5-6-11)10(12)9-4-7-13-8(9)2/h4,7,10H,3,5-6,12H2,1-2H3
InChIKeyAXLKRRWTOYJHNS-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of (1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine (CID 130554204) is (1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for (1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for (1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine is CCC1(C(N)c2ccsc2C)CC1.
What is the InChIKey of (1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine?
The InChIKey is AXLKRRWTOYJHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-3-11(5-6-11)10(12)9-4-7-13-8(9)2/h4,7,10H,3,5-6,12H2,1-2H3.
What are the key properties of (1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine?
(1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine has a molecular weight of 195.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopropyl)-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 130554204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).