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

C11H19BrN2O2 — CID 107316996

IUPAC5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol
SMILESNCC(NCCCCCO)c1ccc(Br)o1
InChIInChI=1S/C11H19BrN2O2/c12-11-5-4-10(16-11)9(8-13)14-6-2-1-3-7-15/h4-5,9,14-15H,1-3,6-8,13H2
InChIKeyBAMCTPCNZMEHQQ-UHFFFAOYSA-N
MW291.19 g/mol
LogP1.79
Rot. Bonds8

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

5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol (PubChem CID 107316996) has the molecular formula C11H19BrN2O2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol
PubChem CID107316996
Molecular FormulaC11H19BrN2O2
Molecular Weight291.19 g/mol
Exact Mass290.06
IUPAC Name5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol
SMILESNCC(NCCCCCO)c1ccc(Br)o1
InChIInChI=1S/C11H19BrN2O2/c12-11-5-4-10(16-11)9(8-13)14-6-2-1-3-7-15/h4-5,9,14-15H,1-3,6-8,13H2
InChIKeyBAMCTPCNZMEHQQ-UHFFFAOYSA-N
XLogP1.79
TPSA71.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 51.79
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

3-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]propan-1-ol
CID 65376147
1-(5-bromofuran-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 65383740
1-(5-bromofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65385832
5-[[2-amino-1-(4,5-dibromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 107316823
5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 107317095
N'-[1-(5-bromofuran-2-yl)ethyl]butane-1,4-diamine
CID 104652736
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-(3,4-dichlorophenyl)ethyl]amino]pentan-1-ol
CID 107316920
5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol
CID 107317121
5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol
CID 107316846
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-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol (CID 107316996) is 5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol is NCC(NCCCCCO)c1ccc(Br)o1.
What is the InChIKey of 5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol?
The InChIKey is BAMCTPCNZMEHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O2/c12-11-5-4-10(16-11)9(8-13)14-6-2-1-3-7-15/h4-5,9,14-15H,1-3,6-8,13H2.
What are the key properties of 5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol?
5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol has a molecular weight of 291.19 g/mol, XLogP of 1.79, 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-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 107316996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).