2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane

C7H14IN2- — CID 147181318

IUPAC2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane
SMILESC[I-]N1CC2CC1CN2C
InChIInChI=1S/C7H14IN2/c1-8-10-5-6-3-7(10)4-9(6)2/h6-7H,3-5H2,1-2H3/q-1
InChIKeyLNVAKKUILYQMND-UHFFFAOYSA-N
MW253.11 g/mol
LogP-2.99
Rot. Bonds1

About 2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane

2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 147181318) has the molecular formula C7H14IN2- and a molecular weight of 253.11 g/mol. Its IUPAC name is 2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID147181318
Molecular FormulaC7H14IN2-
Molecular Weight253.11 g/mol
Exact Mass253.02
IUPAC Name2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane
SMILESC[I-]N1CC2CC1CN2C
InChIInChI=1S/C7H14IN2/c1-8-10-5-6-3-7(10)4-9(6)2/h6-7H,3-5H2,1-2H3/q-1
InChIKeyLNVAKKUILYQMND-UHFFFAOYSA-N
XLogP-2.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.11
LogP ≤ 5-2.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane (CID 147181318) is 2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane is C[I-]N1CC2CC1CN2C.
What is the InChIKey of 2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is LNVAKKUILYQMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14IN2/c1-8-10-5-6-3-7(10)4-9(6)2/h6-7H,3-5H2,1-2H3/q-1.
What are the key properties of 2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane?
2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 253.11 g/mol, XLogP of -2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methyliodanuidyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 147181318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).