3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine

C6H14IN2O- — CID 163774833

IUPAC3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine
SMILESC[I-]OCC1CC(N)(N)C1
InChIInChI=1S/C6H14IN2O/c1-7-10-4-5-2-6(8,9)3-5/h5H,2-4,8-9H2,1H3/q-1
InChIKeyXWBUNLBLFGUGJX-UHFFFAOYSA-N
MW257.09 g/mol
LogP-3.34
Rot. Bonds3

About 3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine

3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine (PubChem CID 163774833) has the molecular formula C6H14IN2O- and a molecular weight of 257.09 g/mol. Its IUPAC name is 3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine.

Molecular Properties

Compound Name3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine
PubChem CID163774833
Molecular FormulaC6H14IN2O-
Molecular Weight257.09 g/mol
Exact Mass257.02
IUPAC Name3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine
SMILESC[I-]OCC1CC(N)(N)C1
InChIInChI=1S/C6H14IN2O/c1-7-10-4-5-2-6(8,9)3-5/h5H,2-4,8-9H2,1H3/q-1
InChIKeyXWBUNLBLFGUGJX-UHFFFAOYSA-N
XLogP-3.34
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 5-3.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine?
The IUPAC name of 3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine (CID 163774833) is 3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine.
What is the SMILES notation for 3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine?
The canonical SMILES for 3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine is C[I-]OCC1CC(N)(N)C1.
What is the InChIKey of 3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine?
The InChIKey is XWBUNLBLFGUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14IN2O/c1-7-10-4-5-2-6(8,9)3-5/h5H,2-4,8-9H2,1H3/q-1.
What are the key properties of 3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine?
3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine has a molecular weight of 257.09 g/mol, XLogP of -3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methyliodanuidyloxymethyl)cyclobutane-1,1-diamine is sourced from PubChem (CID 163774833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).