1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine

C13H21NS — CID 115713093

IUPAC1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCC2CC2C)s1
InChIInChI=1S/C13H21NS/c1-4-12-5-6-13(15-12)10(3)14-8-11-7-9(11)2/h5-6,9-11,14H,4,7-8H2,1-3H3
InChIKeyUBYHBNDSHSTJIW-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.62
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine

1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine (PubChem CID 115713093) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
PubChem CID115713093
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCC2CC2C)s1
InChIInChI=1S/C13H21NS/c1-4-12-5-6-13(15-12)10(3)14-8-11-7-9(11)2/h5-6,9-11,14H,4,7-8H2,1-3H3
InChIKeyUBYHBNDSHSTJIW-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethylthiophen-2-yl)-N-[(3-methylcyclopentyl)methyl]ethanamine
CID 107412059
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
1-(5-ethylthiophen-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61335739
1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902899
N-[1-(5-ethylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 61334719
3-cyclohexyloxy-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 61333751
N-[(2-methylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777850
N-cyclopropyl-2-[1-(5-ethylthiophen-2-yl)ethylamino]acetamide
CID 61333566
1-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
CID 63422667
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82725149
1-(5-ethylthiophen-2-yl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61335920
N-[1-(5-ethylthiophen-2-yl)ethyl]-7-methyloctan-1-amine
CID 55198066

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine (CID 115713093) is 1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine is CCc1ccc(C(C)NCC2CC2C)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
The InChIKey is UBYHBNDSHSTJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-12-5-6-13(15-12)10(3)14-8-11-7-9(11)2/h5-6,9-11,14H,4,7-8H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine?
1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine has a molecular weight of 223.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 115713093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).