10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium

C14H30N3O2+ — CID 7349371

IUPAC10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium
SMILESC[NH+](C)CCCCCCCCCCNC(=O)/C=N/O
InChIInChI=1S/C14H29N3O2/c1-17(2)12-10-8-6-4-3-5-7-9-11-15-14(18)13-16-19/h13,19H,3-12H2,1-2H3,(H,15,18)/p+1/b16-13+
InChIKeyOJFDTOXIHKVGRT-DTQAZKPQSA-O
MW272.41 g/mol
LogP0.83
Rot. Bonds12

About 10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium

10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium (PubChem CID 7349371) has the molecular formula C14H30N3O2+ and a molecular weight of 272.41 g/mol. Its IUPAC name is 10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium.

Molecular Properties

Compound Name10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium
PubChem CID7349371
Molecular FormulaC14H30N3O2+
Molecular Weight272.41 g/mol
Exact Mass272.23
IUPAC Name10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium
SMILESC[NH+](C)CCCCCCCCCCNC(=O)/C=N/O
InChIInChI=1S/C14H29N3O2/c1-17(2)12-10-8-6-4-3-5-7-9-11-15-14(18)13-16-19/h13,19H,3-12H2,1-2H3,(H,15,18)/p+1/b16-13+
InChIKeyOJFDTOXIHKVGRT-DTQAZKPQSA-O
XLogP0.83
TPSA66.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.83
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

6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium
CID 6408182
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 10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium?
The IUPAC name of 10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium (CID 7349371) is 10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium.
What is the SMILES notation for 10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium?
The canonical SMILES for 10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium is C[NH+](C)CCCCCCCCCCNC(=O)/C=N/O.
What is the InChIKey of 10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium?
The InChIKey is OJFDTOXIHKVGRT-DTQAZKPQSA-O. The full InChI is InChI=1S/C14H29N3O2/c1-17(2)12-10-8-6-4-3-5-7-9-11-15-14(18)13-16-19/h13,19H,3-12H2,1-2H3,(H,15,18)/p+1/b16-13+.
What are the key properties of 10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium?
10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium has a molecular weight of 272.41 g/mol, XLogP of 0.83, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium is sourced from PubChem (CID 7349371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).