2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium

C14H23N2O4+ — CID 2249773

IUPAC2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium
SMILESO=[N+]([O-])c1ccccc1OCCCCCC[NH2+]CCO
InChIInChI=1S/C14H22N2O4/c17-11-10-15-9-5-1-2-6-12-20-14-8-4-3-7-13(14)16(18)19/h3-4,7-8,15,17H,1-2,5-6,9-12H2/p+1
InChIKeyNCTCBHQJDWTKER-UHFFFAOYSA-O
MW283.35 g/mol
LogP1.09
Rot. Bonds11

About 2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium

2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium (PubChem CID 2249773) has the molecular formula C14H23N2O4+ and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium.

Molecular Properties

Compound Name2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium
PubChem CID2249773
Molecular FormulaC14H23N2O4+
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium
SMILESO=[N+]([O-])c1ccccc1OCCCCCC[NH2+]CCO
InChIInChI=1S/C14H22N2O4/c17-11-10-15-9-5-1-2-6-12-20-14-8-4-3-7-13(14)16(18)19/h3-4,7-8,15,17H,1-2,5-6,9-12H2/p+1
InChIKeyNCTCBHQJDWTKER-UHFFFAOYSA-O
XLogP1.09
TPSA89.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-nitrophenoxy)propan-1-ol
CID 18791292
11-(2-nitrophenoxy)undecan-1-amine
CID 25180908
5-(2-nitrophenoxy)pentanoic acid
CID 28971679
2-hydroxyethyl-[4-(4-nitrophenoxy)butyl]azanium
CID 2249712
4-(2-nitrophenoxy)butane-1-sulfonic acid
CID 18954140
5-(2-nitrophenoxy)pentanehydrazide
CID 63576866
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
5-(2-tert-butylphenoxy)pentyl-(2-hydroxyethyl)azanium
CID 2251057
5-(2-nitrophenoxy)pentanenitrile
CID 60645555
2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891831
1-[4-(4-ethoxyphenoxy)butoxy]-2-nitrobenzene
CID 2899468
1-[8-[bis(chloromethyl)phosphoryl]octoxy]-2-nitrobenzene
CID 10810731

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium?
The IUPAC name of 2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium (CID 2249773) is 2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium.
What is the SMILES notation for 2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium?
The canonical SMILES for 2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium is O=[N+]([O-])c1ccccc1OCCCCCC[NH2+]CCO.
What is the InChIKey of 2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium?
The InChIKey is NCTCBHQJDWTKER-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22N2O4/c17-11-10-15-9-5-1-2-6-12-20-14-8-4-3-7-13(14)16(18)19/h3-4,7-8,15,17H,1-2,5-6,9-12H2/p+1.
What are the key properties of 2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium?
2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium has a molecular weight of 283.35 g/mol, XLogP of 1.09, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-[6-(2-nitrophenoxy)hexyl]azanium is sourced from PubChem (CID 2249773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).