5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol

C11H18Br2N2OS — CID 107316823

IUPAC5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol
SMILESNCC(NCCCCCO)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H18Br2N2OS/c12-8-6-10(17-11(8)13)9(7-14)15-4-2-1-3-5-16/h6,9,15-16H,1-5,7,14H2
InChIKeyPQXWMVNDBSLCLI-UHFFFAOYSA-N
MW386.15 g/mol
LogP3.03
Rot. Bonds8

About 5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol

5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol (PubChem CID 107316823) has the molecular formula C11H18Br2N2OS and a molecular weight of 386.15 g/mol. Its IUPAC name is 5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol
PubChem CID107316823
Molecular FormulaC11H18Br2N2OS
Molecular Weight386.15 g/mol
Exact Mass383.95
IUPAC Name5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol
SMILESNCC(NCCCCCO)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H18Br2N2OS/c12-8-6-10(17-11(8)13)9(7-14)15-4-2-1-3-5-16/h6,9,15-16H,1-5,7,14H2
InChIKeyPQXWMVNDBSLCLI-UHFFFAOYSA-N
XLogP3.03
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.15
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 107317095
1-(4,5-dibromothiophen-2-yl)-N-ethylethane-1,2-diamine
CID 102839030
N-but-2-ynyl-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 102839925
5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol
CID 107316996
2-(4,5-dibromothiophen-2-yl)-2-(3-hydroxypropylamino)acetonitrile
CID 102840432
(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171215570
5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol
CID 107316866
1-(4,5-dibromothiophen-2-yl)-N-propyloctan-1-amine
CID 80535572
1-(4,5-dibromothiophen-2-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 102839565
1-(4,5-dibromothiophen-2-yl)-N-propylheptan-1-amine
CID 114752623
N-(4-bromo-3-chlorophenyl)-1-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 107619632
4-[[2-amino-1-(3-bromo-4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 106841472

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol (CID 107316823) is 5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol is NCC(NCCCCCO)c1cc(Br)c(Br)s1.
What is the InChIKey of 5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol?
The InChIKey is PQXWMVNDBSLCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Br2N2OS/c12-8-6-10(17-11(8)13)9(7-14)15-4-2-1-3-5-16/h6,9,15-16H,1-5,7,14H2.
What are the key properties of 5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol?
5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol has a molecular weight of 386.15 g/mol, XLogP of 3.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 107316823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).