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

C12H20BrNS — CID 106043149

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CNCCc1ccc(Br)s1
InChIInChI=1S/C12H20BrNS/c1-3-4-10(2)9-14-8-7-11-5-6-12(13)15-11/h5-6,10,14H,3-4,7-9H2,1-2H3
InChIKeyALKGDTULQNMXTQ-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.08
Rot. Bonds7

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

N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine (PubChem CID 106043149) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
PubChem CID106043149
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CNCCc1ccc(Br)s1
InChIInChI=1S/C12H20BrNS/c1-3-4-10(2)9-14-8-7-11-5-6-12(13)15-11/h5-6,10,14H,3-4,7-9H2,1-2H3
InChIKeyALKGDTULQNMXTQ-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
ethyl 3-[2-(5-bromothiophen-2-yl)ethylamino]-2-methylpropanoate
CID 106037128
5-(5-bromothiophen-2-yl)-N-propylpentan-2-amine
CID 64504724
2-(5-bromothiophen-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106047173
2-[2-(5-bromothiophen-2-yl)ethylamino]-1-(4-propan-2-ylphenyl)ethanol
CID 106046953
(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
CID 103794391
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
2-(5-bromothiophen-2-yl)-N-iodoethanamine
CID 134427981
2-bromo-5-(4-bromopentyl)thiophene
CID 64507800
2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol
CID 83980502
N-[2-(5-bromothiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255758

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine (CID 106043149) is N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine is CCCC(C)CNCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine?
The InChIKey is ALKGDTULQNMXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-3-4-10(2)9-14-8-7-11-5-6-12(13)15-11/h5-6,10,14H,3-4,7-9H2,1-2H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine has a molecular weight of 290.27 g/mol, XLogP of 4.08, 7 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]-2-methylpentan-1-amine is sourced from PubChem (CID 106043149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).