(E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine

C8H14INO2 — CID 142521463

IUPAC(E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine
SMILESCO/N=C1/C[C@H](CI)O[C@H](C)C1
InChIInChI=1S/C8H14INO2/c1-6-3-7(10-11-2)4-8(5-9)12-6/h6,8H,3-5H2,1-2H3/b10-7+/t6-,8-/m1/s1
InChIKeyVRFVQVIMQOXRJW-IMUDWZADSA-N
MW283.11 g/mol
LogP1.99
Rot. Bonds2

About (E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine

(E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine (PubChem CID 142521463) has the molecular formula C8H14INO2 and a molecular weight of 283.11 g/mol. Its IUPAC name is (E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine.

Molecular Properties

Compound Name(E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine
PubChem CID142521463
Molecular FormulaC8H14INO2
Molecular Weight283.11 g/mol
Exact Mass283.01
IUPAC Name(E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine
SMILESCO/N=C1/C[C@H](CI)O[C@H](C)C1
InChIInChI=1S/C8H14INO2/c1-6-3-7(10-11-2)4-8(5-9)12-6/h6,8H,3-5H2,1-2H3/b10-7+/t6-,8-/m1/s1
InChIKeyVRFVQVIMQOXRJW-IMUDWZADSA-N
XLogP1.99
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine
CID 58620090
N-propan-2-yloxyoxan-4-imine
CID 59380355
N-(2-ethyl-6-methyloxan-4-ylidene)hydroxylamine
CID 76840244
(2R)-N-methoxy-2,6-dimethyloxan-4-imine;hydrate
CID 142521489
(NE)-N-[(2S)-2-methyloxan-4-ylidene]hydroxylamine
CID 163402249
N-[(2S,6R)-2,6-dimethyloxan-4-ylidene]hydroxylamine
CID 169156330
(E,2S,6R)-2-ethyl-N-methoxy-6-methyloxan-4-imine
CID 173787114
N-(2,6-dimethyloxan-4-ylidene)hydroxylamine
CID 276742
N-(2-methyloxan-4-ylidene)hydroxylamine
CID 77021014
N-(2-propyloxan-4-ylidene)hydroxylamine
CID 77021018
N-(2-ethyloxan-4-ylidene)hydroxylamine
CID 77021019
(NZ)-N-(2-methyloxan-4-ylidene)hydroxylamine
CID 126972218

Frequently Asked Questions

What is the IUPAC name of (E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine?
The IUPAC name of (E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine (CID 142521463) is (E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine.
What is the SMILES notation for (E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine?
The canonical SMILES for (E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine is CO/N=C1/C[C@H](CI)O[C@H](C)C1.
What is the InChIKey of (E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine?
The InChIKey is VRFVQVIMQOXRJW-IMUDWZADSA-N. The full InChI is InChI=1S/C8H14INO2/c1-6-3-7(10-11-2)4-8(5-9)12-6/h6,8H,3-5H2,1-2H3/b10-7+/t6-,8-/m1/s1.
What are the key properties of (E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine?
(E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine has a molecular weight of 283.11 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,6R)-2-(iodomethyl)-N-methoxy-6-methyloxan-4-imine is sourced from PubChem (CID 142521463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).