6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium

C10H22N3O2+ — CID 6408182

IUPAC6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium
SMILESC[NH+](C)CCCCCCNC(=O)/C=N\O
InChIInChI=1S/C10H21N3O2/c1-13(2)8-6-4-3-5-7-11-10(14)9-12-15/h9,15H,3-8H2,1-2H3,(H,11,14)/p+1/b12-9-
InChIKeyZGQDIUFPYYFSGU-XFXZXTDPSA-O
MW216.30 g/mol
LogP-0.73
Rot. Bonds8

About 6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium

6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium (PubChem CID 6408182) has the molecular formula C10H22N3O2+ and a molecular weight of 216.30 g/mol. Its IUPAC name is 6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium.

Molecular Properties

Compound Name6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium
PubChem CID6408182
Molecular FormulaC10H22N3O2+
Molecular Weight216.30 g/mol
Exact Mass216.17
IUPAC Name6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium
SMILESC[NH+](C)CCCCCCNC(=O)/C=N\O
InChIInChI=1S/C10H21N3O2/c1-13(2)8-6-4-3-5-7-11-10(14)9-12-15/h9,15H,3-8H2,1-2H3,(H,11,14)/p+1/b12-9-
InChIKeyZGQDIUFPYYFSGU-XFXZXTDPSA-O
XLogP-0.73
TPSA66.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium
CID 7349371
6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium
CID 6866633
N-[10-(dimethylamino)decyl]-2-hydroxyiminoacetamide
CID 6614497
N-[3-(hexylamino)propyl]-2-hydroxyiminoacetamide
CID 71395833
(2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide
CID 6407354
(2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide
CID 73254220
N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide
CID 6806051
2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium
CID 28816307
N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide
CID 171151800
(2E)-N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-2-hydroxyiminoacetamide;dihydrochloride
CID 163331599
dimethyl-[3-(prop-2-enoylamino)propyl]azanium;ethanesulfonate
CID 139988400
N-[2-[3-(dimethylamino)propylamino]ethyl]-2-hydroxyiminoacetamide;hydrochloride
CID 11958871

Frequently Asked Questions

What is the IUPAC name of 6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium?
The IUPAC name of 6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium (CID 6408182) is 6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium.
What is the SMILES notation for 6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium?
The canonical SMILES for 6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium is C[NH+](C)CCCCCCNC(=O)/C=N\O.
What is the InChIKey of 6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium?
The InChIKey is ZGQDIUFPYYFSGU-XFXZXTDPSA-O. The full InChI is InChI=1S/C10H21N3O2/c1-13(2)8-6-4-3-5-7-11-10(14)9-12-15/h9,15H,3-8H2,1-2H3,(H,11,14)/p+1/b12-9-.
What are the key properties of 6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium?
6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium has a molecular weight of 216.30 g/mol, XLogP of -0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium is sourced from PubChem (CID 6408182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).