2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine

C11H16IN3 — CID 58464157

IUPAC2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1ccc(I)cn1
InChIInChI=1S/C11H16IN3/c12-8-5-6-11(14-7-8)15-10-4-2-1-3-9(10)13/h5-7,9-10H,1-4,13H2,(H,14,15)
InChIKeyHACXCYBXLNFOQQ-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.37
Rot. Bonds2

About 2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine

2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine (PubChem CID 58464157) has the molecular formula C11H16IN3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine
PubChem CID58464157
Molecular FormulaC11H16IN3
Molecular Weight317.17 g/mol
Exact Mass317.04
IUPAC Name2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1ccc(I)cn1
InChIInChI=1S/C11H16IN3/c12-8-5-6-11(14-7-8)15-10-4-2-1-3-9(10)13/h5-7,9-10H,1-4,13H2,(H,14,15)
InChIKeyHACXCYBXLNFOQQ-UHFFFAOYSA-N
XLogP2.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-N-(5-bromo-2-pyridinyl)cyclohexane-1,2-diamine
CID 93453964
cis-(1S,2R)-1-N-(5-methyl-2-pyridinyl)cyclopentane-1,2-diamine
CID 159909589
6-[[(1R,2R)-2-aminocyclohexyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 102738868
3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine
CID 171746116
6-[(2-aminocyclopentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341119
N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide
CID 65098737
N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide
CID 65098987
2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine
CID 114869475
1-N-pyrazin-2-ylcyclopentane-1,2-diamine
CID 63252369
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine
CID 114046704
2-N-(5-methyl-4-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 83271432

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine (CID 58464157) is 2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine is NC1CCCCC1Nc1ccc(I)cn1.
What is the InChIKey of 2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine?
The InChIKey is HACXCYBXLNFOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3/c12-8-5-6-11(14-7-8)15-10-4-2-1-3-9(10)13/h5-7,9-10H,1-4,13H2,(H,14,15).
What are the key properties of 2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine?
2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine has a molecular weight of 317.17 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 58464157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).