1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine

C13H17IN2 — CID 66082516

IUPAC1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine
SMILESNc1cc(I)ccc1NC1CC2CCC1C2
InChIInChI=1S/C13H17IN2/c14-10-3-4-12(11(15)7-10)16-13-6-8-1-2-9(13)5-8/h3-4,7-9,13,16H,1-2,5-6,15H2
InChIKeyVNPPZTSILREZDT-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.47
Rot. Bonds2

About 1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine

1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine (PubChem CID 66082516) has the molecular formula C13H17IN2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine
PubChem CID66082516
Molecular FormulaC13H17IN2
Molecular Weight328.20 g/mol
Exact Mass328.04
IUPAC Name1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine
SMILESNc1cc(I)ccc1NC1CC2CCC1C2
InChIInChI=1S/C13H17IN2/c14-10-3-4-12(11(15)7-10)16-13-6-8-1-2-9(13)5-8/h3-4,7-9,13,16H,1-2,5-6,15H2
InChIKeyVNPPZTSILREZDT-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-iodophenyl)bicyclo[2.2.1]heptan-2-amine
CID 63445286
1-N-(3,4-dimethylcyclohexyl)-4-iodobenzene-1,2-diamine
CID 66082123
8-N-(2-bicyclo[2.2.1]heptanyl)-3-bromoquinoline-5,8-diamine
CID 106949416
4-iodo-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 66064699
3-N-(2-bicyclo[2.2.1]heptanyl)pyridine-2,3-diamine
CID 104540446
2-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbenzene-1,2-diamine
CID 115550589
1-N-(2-bicyclo[2.2.1]heptanyl)-4-ethylbenzene-1,3-diamine
CID 114245694
N-(2,4-dimethoxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 61309711
(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668
ethyl 4-amino-3-(2-bicyclo[2.2.1]heptanylamino)benzoate
CID 82796182
N-(2,3-dichlorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 54329909
N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451149

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine?
The IUPAC name of 1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine (CID 66082516) is 1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine is Nc1cc(I)ccc1NC1CC2CCC1C2.
What is the InChIKey of 1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine?
The InChIKey is VNPPZTSILREZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2/c14-10-3-4-12(11(15)7-10)16-13-6-8-1-2-9(13)5-8/h3-4,7-9,13,16H,1-2,5-6,15H2.
What are the key properties of 1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine?
1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine has a molecular weight of 328.20 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bicyclo[2.2.1]heptanyl)-4-iodobenzene-1,2-diamine is sourced from PubChem (CID 66082516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).