N-tert-butyl-3-iodopyridin-2-amine

C9H13IN2 — CID 163216156

IUPACN-tert-butyl-3-iodopyridin-2-amine
SMILESCC(C)(C)Nc1ncccc1I
InChIInChI=1S/C9H13IN2/c1-9(2,3)12-8-7(10)5-4-6-11-8/h4-6H,1-3H3,(H,11,12)
InChIKeyBLRUQIGMFXBFGQ-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.90
Rot. Bonds1

About N-tert-butyl-3-iodopyridin-2-amine

N-tert-butyl-3-iodopyridin-2-amine (PubChem CID 163216156) has the molecular formula C9H13IN2 and a molecular weight of 276.12 g/mol. Its IUPAC name is N-tert-butyl-3-iodopyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-3-iodopyridin-2-amine
PubChem CID163216156
Molecular FormulaC9H13IN2
Molecular Weight276.12 g/mol
Exact Mass276.01
IUPAC NameN-tert-butyl-3-iodopyridin-2-amine
SMILESCC(C)(C)Nc1ncccc1I
InChIInChI=1S/C9H13IN2/c1-9(2,3)12-8-7(10)5-4-6-11-8/h4-6H,1-3H3,(H,11,12)
InChIKeyBLRUQIGMFXBFGQ-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-iodo-2-pyridinyl)amino]propan-2-ol
CID 130724684
2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid
CID 122060951
N-tert-butyl-3-nitropyridin-2-amine;ethene
CID 144870417
N-(3-iodo-2-pyridinyl)nitramide
CID 119093198
N-tert-butyl-2-methylpyrido[3,2-d]pyrimidin-4-amine
CID 155116977
(2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide
CID 130621810
N-tert-butylisoquinolin-1-amine;hydrate
CID 51057763
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
(2S)-2-[(3-iodo-2-pyridinyl)amino]butan-1-ol
CID 130736106
N-tert-butyl-2-chloropyrido[3,2-d]pyrimidin-4-amine
CID 155102646
3-[(3-bromo-2-pyridinyl)amino]-2,3-dimethylbutan-2-ol
CID 106185813
N,3-ditert-butyl-4-methylpyridin-2-amine
CID 87337731

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-iodopyridin-2-amine?
The IUPAC name of N-tert-butyl-3-iodopyridin-2-amine (CID 163216156) is N-tert-butyl-3-iodopyridin-2-amine.
What is the SMILES notation for N-tert-butyl-3-iodopyridin-2-amine?
The canonical SMILES for N-tert-butyl-3-iodopyridin-2-amine is CC(C)(C)Nc1ncccc1I.
What is the InChIKey of N-tert-butyl-3-iodopyridin-2-amine?
The InChIKey is BLRUQIGMFXBFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2/c1-9(2,3)12-8-7(10)5-4-6-11-8/h4-6H,1-3H3,(H,11,12).
What are the key properties of N-tert-butyl-3-iodopyridin-2-amine?
N-tert-butyl-3-iodopyridin-2-amine has a molecular weight of 276.12 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-iodopyridin-2-amine is sourced from PubChem (CID 163216156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).