1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine

C12H20BrNS — CID 107893798

IUPAC1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1csc(Br)c1
InChIInChI=1S/C12H20BrNS/c1-4-6-9(3)12(14-5-2)10-7-11(13)15-8-10/h7-9,12,14H,4-6H2,1-3H3
InChIKeyCBCNCYQHSAUGGW-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.60
Rot. Bonds6

About 1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine

1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine (PubChem CID 107893798) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine
PubChem CID107893798
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC Name1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1csc(Br)c1
InChIInChI=1S/C12H20BrNS/c1-4-6-9(3)12(14-5-2)10-7-11(13)15-8-10/h7-9,12,14H,4-6H2,1-3H3
InChIKeyCBCNCYQHSAUGGW-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 114013851
1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine
CID 105129603
1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43490297
N-ethyl-2-methyl-1-pyridin-4-ylpentan-1-amine
CID 107893389
N-[(5-bromothiophen-3-yl)-cyclopentylmethyl]ethanamine
CID 105080844
N-ethyl-2-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 115854971
[1-(5-bromothiophen-3-yl)-3-methylhexyl]hydrazine
CID 105298248
1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893654
1-(5-bromothiophen-3-yl)-N-propyldecan-1-amine
CID 105124423
1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 105152557
1-(5-bromothiophen-3-yl)nonan-1-amine
CID 105128036
1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine
CID 105165058

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine (CID 107893798) is 1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine is CCCC(C)C(NCC)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine?
The InChIKey is CBCNCYQHSAUGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-4-6-9(3)12(14-5-2)10-7-11(13)15-8-10/h7-9,12,14H,4-6H2,1-3H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine?
1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine has a molecular weight of 290.27 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-ethyl-2-methylpentan-1-amine is sourced from PubChem (CID 107893798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).