4-iodobicyclo[2.2.2]octan-1-amine

C8H14IN — CID 86014212

IUPAC4-iodobicyclo[2.2.2]octan-1-amine
SMILESNC12CCC(I)(CC1)CC2
InChIInChI=1S/C8H14IN/c9-7-1-4-8(10,5-2-7)6-3-7/h1-6,10H2
InChIKeyUYPOWJVNOOYPEE-UHFFFAOYSA-N
MW251.11 g/mol
LogP2.23
Rot. Bonds

About 4-iodobicyclo[2.2.2]octan-1-amine

4-iodobicyclo[2.2.2]octan-1-amine (PubChem CID 86014212) has the molecular formula C8H14IN and a molecular weight of 251.11 g/mol. Its IUPAC name is 4-iodobicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound Name4-iodobicyclo[2.2.2]octan-1-amine
PubChem CID86014212
Molecular FormulaC8H14IN
Molecular Weight251.11 g/mol
Exact Mass251.02
IUPAC Name4-iodobicyclo[2.2.2]octan-1-amine
SMILESNC12CCC(I)(CC1)CC2
InChIInChI=1S/C8H14IN/c9-7-1-4-8(10,5-2-7)6-3-7/h1-6,10H2
InChIKeyUYPOWJVNOOYPEE-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-iodobicyclo[2.2.2]octan-1-amine 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

4-N-iodobicyclo[2.2.2]octane-1,4-diamine
CID 166985169
4-(trifluoromethyl)bicyclo[2.2.2]octan-1-amine;hydrochloride
CID 86775403
(4-amino-1-bicyclo[2.2.2]octanyl) hypofluorite
CID 86060114
bicyclo[2.2.2]octan-1-amine
CID 550214
1-iodocyclotridecan-1-amine
CID 134396656
4-aminobicyclo[2.2.1]heptane-1-carboxylic acid
CID 45084820
4-N-tert-butylbicyclo[2.2.2]octane-1,4-diamine
CID 171762439
2,2-diiodocyclohexane-1,1-diamine
CID 174265228
1-bromo-4-iodobicyclo[2.2.1]heptane
CID 14611218
1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride
CID 154856939
4-(1,2-oxazol-5-yl)bicyclo[2.2.2]octan-1-amine
CID 175787974
1-methyl-2-oxabicyclo[2.2.1]heptan-4-amine
CID 138040399

Frequently Asked Questions

What is the IUPAC name of 4-iodobicyclo[2.2.2]octan-1-amine?
The IUPAC name of 4-iodobicyclo[2.2.2]octan-1-amine (CID 86014212) is 4-iodobicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for 4-iodobicyclo[2.2.2]octan-1-amine?
The canonical SMILES for 4-iodobicyclo[2.2.2]octan-1-amine is NC12CCC(I)(CC1)CC2.
What is the InChIKey of 4-iodobicyclo[2.2.2]octan-1-amine?
The InChIKey is UYPOWJVNOOYPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14IN/c9-7-1-4-8(10,5-2-7)6-3-7/h1-6,10H2.
What are the key properties of 4-iodobicyclo[2.2.2]octan-1-amine?
4-iodobicyclo[2.2.2]octan-1-amine has a molecular weight of 251.11 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodobicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 86014212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).