N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine

C11H18BrNS — CID 115712481

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCc1ccc(Br)s1
InChIInChI=1S/C11H18BrNS/c1-3-4-9(2)13-8-7-10-5-6-11(12)14-10/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyFDHCKRFABLYHHC-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.83
Rot. Bonds6

About N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine

N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine (PubChem CID 115712481) has the molecular formula C11H18BrNS and a molecular weight of 276.24 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
PubChem CID115712481
Molecular FormulaC11H18BrNS
Molecular Weight276.24 g/mol
Exact Mass275.03
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NCCc1ccc(Br)s1
InChIInChI=1S/C11H18BrNS/c1-3-4-9(2)13-8-7-10-5-6-11(12)14-10/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKeyFDHCKRFABLYHHC-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-bromothiophen-2-yl)-N-propylpentan-2-amine
CID 64504724
N-[2-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 115713587
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149
2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol
CID 83980502
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 106042738
N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine
CID 106042494
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115712482
3-[2-(5-bromothiophen-2-yl)ethylamino]-N'-hydroxybutanimidamide
CID 106034260
N-[(5-bromothiophen-2-yl)methyl]heptan-2-amine
CID 43399889
5-(5-bromothiophen-2-yl)-4-methyl-N-propylpentan-2-amine
CID 64720991
6-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-1-amine
CID 65306600

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine (CID 115712481) is N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine is CCCC(C)NCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine?
The InChIKey is FDHCKRFABLYHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNS/c1-3-4-9(2)13-8-7-10-5-6-11(12)14-10/h5-6,9,13H,3-4,7-8H2,1-2H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine has a molecular weight of 276.24 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 115712481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).