6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium

C11H24N3O2+ — CID 6866633

IUPAC6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium
SMILESC[N+](C)(C)CCCCCCNC(=O)/C=N/O
InChIInChI=1S/C11H23N3O2/c1-14(2,3)9-7-5-4-6-8-12-11(15)10-13-16/h10H,4-9H2,1-3H3,(H-,12,15,16)/p+1
InChIKeyTYCBGYJDMYWSFL-UHFFFAOYSA-O
MW230.33 g/mol
LogP0.83
Rot. Bonds8

About 6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium

6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium (PubChem CID 6866633) has the molecular formula C11H24N3O2+ and a molecular weight of 230.33 g/mol. Its IUPAC name is 6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium.

Molecular Properties

Compound Name6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium
PubChem CID6866633
Molecular FormulaC11H24N3O2+
Molecular Weight230.33 g/mol
Exact Mass230.19
IUPAC Name6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium
SMILESC[N+](C)(C)CCCCCCNC(=O)/C=N/O
InChIInChI=1S/C11H23N3O2/c1-14(2,3)9-7-5-4-6-8-12-11(15)10-13-16/h10H,4-9H2,1-3H3,(H-,12,15,16)/p+1
InChIKeyTYCBGYJDMYWSFL-UHFFFAOYSA-O
XLogP0.83
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(2Z)-2-hydroxyiminoacetyl]amino]ethyl-trimethylazanium
CID 28816307
10-[[(2E)-2-hydroxyiminoacetyl]amino]decyl-dimethylazanium
CID 7349371
6-[[(2Z)-2-hydroxyiminoacetyl]amino]hexyl-dimethylazanium
CID 6408182
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
[(10Z)-10-hydroxyimino-9-oxodecyl]-trimethylazanium
CID 6412547
(2E)-2-hydroxyimino-N-[2-[3-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethylamino]propylamino]ethyl]acetamide
CID 73254220
azanium;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;dichloride
CID 158028847
N-[3-[hexyl(methyl)amino]propyl]-2-hydroxyiminoacetamide
CID 6806051
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

Frequently Asked Questions

What is the IUPAC name of 6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium?
The IUPAC name of 6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium (CID 6866633) is 6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium.
What is the SMILES notation for 6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium?
The canonical SMILES for 6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium is C[N+](C)(C)CCCCCCNC(=O)/C=N/O.
What is the InChIKey of 6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium?
The InChIKey is TYCBGYJDMYWSFL-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23N3O2/c1-14(2,3)9-7-5-4-6-8-12-11(15)10-13-16/h10H,4-9H2,1-3H3,(H-,12,15,16)/p+1.
What are the key properties of 6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium?
6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium has a molecular weight of 230.33 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2E)-2-hydroxyiminoacetyl]amino]hexyl-trimethylazanium is sourced from PubChem (CID 6866633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).