[(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite

C19H30IN2O3- — CID 163875679

IUPAC[(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite
SMILESC=C1CC23CCC4C(C)(CCCC4(C)N([O-])OI)C2CCC1(ON)C3
InChIInChI=1S/C19H30IN2O3/c1-13-11-18-9-5-14-16(2,7-4-8-17(14,3)22(23)25-20)15(18)6-10-19(13,12-18)24-21/h14-15H,1,4-12,21H2,2-3H3/q-1
InChIKeyTYGAORPJTFXMDT-UHFFFAOYSA-N
MW461.36 g/mol
LogP4.80
Rot. Bonds3

About [(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite

[(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite (PubChem CID 163875679) has the molecular formula C19H30IN2O3- and a molecular weight of 461.36 g/mol. Its IUPAC name is [(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite.

Molecular Properties

Compound Name[(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite
PubChem CID163875679
Molecular FormulaC19H30IN2O3-
Molecular Weight461.36 g/mol
Exact Mass461.13
IUPAC Name[(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite
SMILESC=C1CC23CCC4C(C)(CCCC4(C)N([O-])OI)C2CCC1(ON)C3
InChIInChI=1S/C19H30IN2O3/c1-13-11-18-9-5-14-16(2,7-4-8-17(14,3)22(23)25-20)15(18)6-10-19(13,12-18)24-21/h14-15H,1,4-12,21H2,2-3H3/q-1
InChIKeyTYGAORPJTFXMDT-UHFFFAOYSA-N
XLogP4.80
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,4S,5R,9S,10R,13S)-13-(methoxymethoxy)-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
CID 56945476
5,9-dimethyl-14-methylidene-13-propan-2-yloxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 157411109
ethyl (1R,5R,9S,13S)-5,9-dimethyl-14-methylidene-13-propan-2-yloxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
CID 158796320
methane;bis((1R,9R,13R)-5,5,9,13-tetramethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane)
CID 158642735
(1R,4S,5R,9S,10S,13S)-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol
CID 162948047
(1R,4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylidene-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
CID 143765731
(4S,5R,9S,10R,13R)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 146489671
(1S,4S,5R,9S,10R,13S)-5,9,13-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 118357138
[(5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,5R,9S,13S)-5,9-dimethyl-14-methylidene-13-[(3R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
CID 118584452
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4R,5S,9R,10S,13S)-5,9-dimethyl-14-methylidene-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
CID 91884816
[4,5-diacetyloxy-6-(acetyloxymethyl)-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl] (1R,5R,9S,13S)-13-[5-acetyloxy-6-(acetyloxymethyl)-3,4-bis[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
CID 59616038
(1R,4R,5S,9R,10R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-13-ol
CID 155276840

Frequently Asked Questions

What is the IUPAC name of [(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite?
The IUPAC name of [(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite (CID 163875679) is [(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite.
What is the SMILES notation for [(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite?
The canonical SMILES for [(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite is C=C1CC23CCC4C(C)(CCCC4(C)N([O-])OI)C2CCC1(ON)C3.
What is the InChIKey of [(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite?
The InChIKey is TYGAORPJTFXMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30IN2O3/c1-13-11-18-9-5-14-16(2,7-4-8-17(14,3)22(23)25-20)15(18)6-10-19(13,12-18)24-21/h14-15H,1,4-12,21H2,2-3H3/q-1.
What are the key properties of [(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite?
[(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite has a molecular weight of 461.36 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(13-aminooxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)-oxidoamino] hypoiodite is sourced from PubChem (CID 163875679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).