methyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate

C8H18INO — CID 163858298

IUPACmethyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate
SMILESCCI(C)/C(=N/C(C)C)OC
InChIInChI=1S/C8H18INO/c1-6-9(4)8(11-5)10-7(2)3/h7H,6H2,1-5H3/b10-8-
InChIKeyPAGXSBKIFRKOEC-NTMALXAHSA-N
MW271.14 g/mol
LogP2.55
Rot. Bonds3

About methyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate

methyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate (PubChem CID 163858298) has the molecular formula C8H18INO and a molecular weight of 271.14 g/mol. Its IUPAC name is methyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate.

Molecular Properties

Compound Namemethyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate
PubChem CID163858298
Molecular FormulaC8H18INO
Molecular Weight271.14 g/mol
Exact Mass271.04
IUPAC Namemethyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate
SMILESCCI(C)/C(=N/C(C)C)OC
InChIInChI=1S/C8H18INO/c1-6-9(4)8(11-5)10-7(2)3/h7H,6H2,1-5H3/b10-8-
InChIKeyPAGXSBKIFRKOEC-NTMALXAHSA-N
XLogP2.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate?
The IUPAC name of methyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate (CID 163858298) is methyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate.
What is the SMILES notation for methyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate?
The canonical SMILES for methyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate is CCI(C)/C(=N/C(C)C)OC.
What is the InChIKey of methyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate?
The InChIKey is PAGXSBKIFRKOEC-NTMALXAHSA-N. The full InChI is InChI=1S/C8H18INO/c1-6-9(4)8(11-5)10-7(2)3/h7H,6H2,1-5H3/b10-8-.
What are the key properties of methyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate?
methyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate has a molecular weight of 271.14 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[ethyl(methyl)-λ3-iodanyl]-N-propan-2-ylmethanimidate is sourced from PubChem (CID 163858298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).