2,2-diiodocyclohexane-1,1-diamine

C6H12I2N2 — CID 174265228

IUPAC2,2-diiodocyclohexane-1,1-diamine
SMILESNC1(N)CCCCC1(I)I
InChIInChI=1S/C6H12I2N2/c7-5(8)3-1-2-4-6(5,9)10/h1-4,9-10H2
InChIKeyMVLXIBAYVZCYOR-UHFFFAOYSA-N
MW365.98 g/mol
LogP1.74
Rot. Bonds

About 2,2-diiodocyclohexane-1,1-diamine

2,2-diiodocyclohexane-1,1-diamine (PubChem CID 174265228) has the molecular formula C6H12I2N2 and a molecular weight of 365.98 g/mol. Its IUPAC name is 2,2-diiodocyclohexane-1,1-diamine.

Molecular Properties

Compound Name2,2-diiodocyclohexane-1,1-diamine
PubChem CID174265228
Molecular FormulaC6H12I2N2
Molecular Weight365.98 g/mol
Exact Mass365.91
IUPAC Name2,2-diiodocyclohexane-1,1-diamine
SMILESNC1(N)CCCCC1(I)I
InChIInChI=1S/C6H12I2N2/c7-5(8)3-1-2-4-6(5,9)10/h1-4,9-10H2
InChIKeyMVLXIBAYVZCYOR-UHFFFAOYSA-N
XLogP1.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.98
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 2,2-diiodocyclohexane-1,1-diamine 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

1-iodocyclotridecan-1-amine
CID 134396656
[1-(aminomethyl)-2,2-diiodocyclohexyl]methanamine
CID 19897960
1-(aminomethyl)-2,2-diiodocyclopentan-1-amine
CID 88689644
2,2-bis(aminomethyl)cyclohexane-1,1-diamine
CID 67262117
bis(cyclodecane);cyclodecane-1,1-diamine
CID 22325955
1,6-diiodobicyclo[4.1.0]heptane
CID 15105130
cyclohexane-1,1-diamine;platinum(2+)
CID 22338759
2,2-dipropylcyclohexane-1,1-diamine
CID 175187242
2,2-dichlorocyclopentane-1,1-diamine;platinum
CID 88780620
4-iodobicyclo[2.2.2]octan-1-amine
CID 86014212
CID 145159895
CID 145159895
2,2,3,3-tetramethylcyclohexane-1,1-diamine
CID 18624315

Frequently Asked Questions

What is the IUPAC name of 2,2-diiodocyclohexane-1,1-diamine?
The IUPAC name of 2,2-diiodocyclohexane-1,1-diamine (CID 174265228) is 2,2-diiodocyclohexane-1,1-diamine.
What is the SMILES notation for 2,2-diiodocyclohexane-1,1-diamine?
The canonical SMILES for 2,2-diiodocyclohexane-1,1-diamine is NC1(N)CCCCC1(I)I.
What is the InChIKey of 2,2-diiodocyclohexane-1,1-diamine?
The InChIKey is MVLXIBAYVZCYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12I2N2/c7-5(8)3-1-2-4-6(5,9)10/h1-4,9-10H2.
What are the key properties of 2,2-diiodocyclohexane-1,1-diamine?
2,2-diiodocyclohexane-1,1-diamine has a molecular weight of 365.98 g/mol, XLogP of 1.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diiodocyclohexane-1,1-diamine is sourced from PubChem (CID 174265228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).