N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine

C11H16BrNS — CID 103783802

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine
SMILESCCC1CC1NC(C)c1sccc1Br
InChIInChI=1S/C11H16BrNS/c1-3-8-6-10(8)13-7(2)11-9(12)4-5-14-11/h4-5,7-8,10,13H,3,6H2,1-2H3
InChIKeyXPOFBUFKHTWISN-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.96
Rot. Bonds4

About N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine

N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine (PubChem CID 103783802) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine
PubChem CID103783802
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine
SMILESCCC1CC1NC(C)c1sccc1Br
InChIInChI=1S/C11H16BrNS/c1-3-8-6-10(8)13-7(2)11-9(12)4-5-14-11/h4-5,7-8,10,13H,3,6H2,1-2H3
InChIKeyXPOFBUFKHTWISN-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 63996638
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584469
N-[1-(3-bromothiophen-2-yl)ethyl]-3-methoxycyclopentan-1-amine
CID 103082860
N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine
CID 115893699
N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine
CID 103902688
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788030
2-ethyl-N-[1-(1,3-thiazol-5-yl)ethyl]cyclopropan-1-amine
CID 103783780
3-[[1-(3-bromothiophen-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271388
2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 43771158
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine
CID 43775777
N-[1-(3-bromothiophen-2-yl)ethyl]-3-cyclopropylpropan-1-amine
CID 115890816
N-[1-(3-bromothiophen-2-yl)ethyl]-2-chloroprop-2-en-1-amine
CID 115891113

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine (CID 103783802) is N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine is CCC1CC1NC(C)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine?
The InChIKey is XPOFBUFKHTWISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-3-8-6-10(8)13-7(2)11-9(12)4-5-14-11/h4-5,7-8,10,13H,3,6H2,1-2H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine has a molecular weight of 274.23 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-2-ethylcyclopropan-1-amine is sourced from PubChem (CID 103783802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).