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

C13H21NS — CID 103902899

IUPAC1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCC2(C)CC2)s1
InChIInChI=1S/C13H21NS/c1-4-11-5-6-12(15-11)10(2)14-9-13(3)7-8-13/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyWGUAZVVGKHFNBX-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.76
Rot. Bonds5

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

1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine (PubChem CID 103902899) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
PubChem CID103902899
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
SMILESCCc1ccc(C(C)NCC2(C)CC2)s1
InChIInChI=1S/C13H21NS/c1-4-11-5-6-12(15-11)10(2)14-9-13(3)7-8-13/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyWGUAZVVGKHFNBX-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methiopropamine
CID 436156
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
2-(Thiophen-2-yl)pyrrolidine
CID 339554
N'-[3-(thiophen-2-ylmethylamino)propyl]octane-1,8-diamine
CID 76324403
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
2-Thiophenemethanamine, N-ethyl-alpha-(phenylmethyl)-, hydrochloride (1:1)
CID 3061989
N-Methyl-1-(2-thienyl)ethanamine hydrochloride
CID 458575
Methyl[1-(thiophen-2-yl)ethyl]amine
CID 458576
2-[[(1-Phenylethyl)amino]methyl]-5-methylthiophene
CID 4715520

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine (CID 103902899) is 1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine is CCc1ccc(C(C)NCC2(C)CC2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
The InChIKey is WGUAZVVGKHFNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-11-5-6-12(15-11)10(2)14-9-13(3)7-8-13/h5-6,10,14H,4,7-9H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine?
1-(5-ethylthiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine has a molecular weight of 223.38 g/mol, XLogP of 3.76, 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-[(1-methylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 103902899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).