[6-oxo-6-(phenylmethoxyamino)hexyl]azanium

C13H21N2O2+ — CID 59535547

IUPAC[6-oxo-6-(phenylmethoxyamino)hexyl]azanium
SMILES[NH3+]CCCCCC(=O)NOCc1ccccc1
InChIInChI=1S/C13H20N2O2/c14-10-6-2-5-9-13(16)15-17-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,14H2,(H,15,16)/p+1
InChIKeyQZXXPIJAYMKWSC-UHFFFAOYSA-O
MW237.32 g/mol
LogP1.04
Rot. Bonds8

About [6-oxo-6-(phenylmethoxyamino)hexyl]azanium

[6-oxo-6-(phenylmethoxyamino)hexyl]azanium (PubChem CID 59535547) has the molecular formula C13H21N2O2+ and a molecular weight of 237.32 g/mol. Its IUPAC name is [6-oxo-6-(phenylmethoxyamino)hexyl]azanium.

Molecular Properties

Compound Name[6-oxo-6-(phenylmethoxyamino)hexyl]azanium
PubChem CID59535547
Molecular FormulaC13H21N2O2+
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name[6-oxo-6-(phenylmethoxyamino)hexyl]azanium
SMILES[NH3+]CCCCCC(=O)NOCc1ccccc1
InChIInChI=1S/C13H20N2O2/c14-10-6-2-5-9-13(16)15-17-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,14H2,(H,15,16)/p+1
InChIKeyQZXXPIJAYMKWSC-UHFFFAOYSA-O
XLogP1.04
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[7-oxo-7-(phenylmethoxyamino)heptyl]azanium
CID 59535539
7-oxo-7-(phenylmethoxyamino)heptanoic acid
CID 57439168
7-amino-N-phenylmethoxyheptanamide
CID 59535540
N-phenylmethoxyhexanamide
CID 60717350
8-amino-N-phenylmethoxyoctanamide;ethane;ethene
CID 143768165
chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide
CID 59535535
8-amino-N-phenylmethoxydecanamide;hydrochloride
CID 174601541
chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide
CID 59535491
N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide
CID 23900156
tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate
CID 59535553
(2S)-2-amino-N-phenyl-N'-phenylmethoxyoctanediamide
CID 72946637
4-amino-N-phenylmethoxypentanamide
CID 64974762

Frequently Asked Questions

What is the IUPAC name of [6-oxo-6-(phenylmethoxyamino)hexyl]azanium?
The IUPAC name of [6-oxo-6-(phenylmethoxyamino)hexyl]azanium (CID 59535547) is [6-oxo-6-(phenylmethoxyamino)hexyl]azanium.
What is the SMILES notation for [6-oxo-6-(phenylmethoxyamino)hexyl]azanium?
The canonical SMILES for [6-oxo-6-(phenylmethoxyamino)hexyl]azanium is [NH3+]CCCCCC(=O)NOCc1ccccc1.
What is the InChIKey of [6-oxo-6-(phenylmethoxyamino)hexyl]azanium?
The InChIKey is QZXXPIJAYMKWSC-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H20N2O2/c14-10-6-2-5-9-13(16)15-17-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11,14H2,(H,15,16)/p+1.
What are the key properties of [6-oxo-6-(phenylmethoxyamino)hexyl]azanium?
[6-oxo-6-(phenylmethoxyamino)hexyl]azanium has a molecular weight of 237.32 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-oxo-6-(phenylmethoxyamino)hexyl]azanium is sourced from PubChem (CID 59535547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).