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

C11H19BrN2OS — CID 107317095

IUPAC5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
SMILESNCC(NCCCCCO)c1cc(Br)cs1
InChIInChI=1S/C11H19BrN2OS/c12-9-6-11(16-8-9)10(7-13)14-4-2-1-3-5-15/h6,8,10,14-15H,1-5,7,13H2
InChIKeyQPUQIRJKIPLCAU-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.26
Rot. Bonds8

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

5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol (PubChem CID 107317095) has the molecular formula C11H19BrN2OS and a molecular weight of 307.26 g/mol. Its IUPAC name is 5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
PubChem CID107317095
Molecular FormulaC11H19BrN2OS
Molecular Weight307.26 g/mol
Exact Mass306.04
IUPAC Name5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
SMILESNCC(NCCCCCO)c1cc(Br)cs1
InChIInChI=1S/C11H19BrN2OS/c12-9-6-11(16-8-9)10(7-13)14-4-2-1-3-5-15/h6,8,10,14-15H,1-5,7,13H2
InChIKeyQPUQIRJKIPLCAU-UHFFFAOYSA-N
XLogP2.26
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.26
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-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 107316823
(4R)-4-amino-4-(4-bromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171198523
5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol
CID 107316996
4-[[2-amino-1-(4-bromo-2-chlorophenyl)ethyl]amino]butan-1-ol
CID 106841390
5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol
CID 107316866
5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol
CID 107317019
2-(4-bromothiophen-2-yl)-2-(2,2-dimethylhydrazinyl)ethanamine
CID 83010765
5-[[2-amino-1-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol
CID 107316920
5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol
CID 107317087
4-[[2-amino-1-(3-bromo-4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 106841472
N-(2-bromo-5-methylphenyl)-1-(4-bromothiophen-2-yl)ethane-1,2-diamine
CID 82757533
1-(4-bromothiophen-2-yl)-N-methylbutane-1,4-diamine
CID 116949322

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol (CID 107317095) is 5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol is NCC(NCCCCCO)c1cc(Br)cs1.
What is the InChIKey of 5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol?
The InChIKey is QPUQIRJKIPLCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2OS/c12-9-6-11(16-8-9)10(7-13)14-4-2-1-3-5-15/h6,8,10,14-15H,1-5,7,13H2.
What are the key properties of 5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol?
5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol has a molecular weight of 307.26 g/mol, XLogP of 2.26, 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-bromothiophen-2-yl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 107317095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).