3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine

C9H14IN3 — CID 130624544

IUPAC3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine
SMILESCC(C)[C@@H](N)c1cc(I)cnc1N
InChIInChI=1S/C9H14IN3/c1-5(2)8(11)7-3-6(10)4-13-9(7)12/h3-5,8H,11H2,1-2H3,(H2,12,13)/t8-/m1/s1
InChIKeyVTKIVIZOKBJVDT-MRVPVSSYSA-N
MW291.14 g/mol
LogP1.92
Rot. Bonds2

About 3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine

3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine (PubChem CID 130624544) has the molecular formula C9H14IN3 and a molecular weight of 291.14 g/mol. Its IUPAC name is 3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine.

Molecular Properties

Compound Name3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine
PubChem CID130624544
Molecular FormulaC9H14IN3
Molecular Weight291.14 g/mol
Exact Mass291.02
IUPAC Name3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine
SMILESCC(C)[C@@H](N)c1cc(I)cnc1N
InChIInChI=1S/C9H14IN3/c1-5(2)8(11)7-3-6(10)4-13-9(7)12/h3-5,8H,11H2,1-2H3,(H2,12,13)/t8-/m1/s1
InChIKeyVTKIVIZOKBJVDT-MRVPVSSYSA-N
XLogP1.92
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.92
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

3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-2-amine
CID 130691652
(1R)-1-(5-iodo-2-methylphenyl)-2-methylpropan-1-amine
CID 130782192
(1R)-1-(2-bromo-5-iodophenyl)-2-methylpropan-1-amine
CID 130883143
(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
CID 131075545
3-(1-amino-2-methoxypropyl)-5-chloropyridin-2-amine
CID 79615951
3-(1-amino-2-ethoxy-3-methylbutyl)-5-methylpyridin-2-amine
CID 116720727
1-(2-fluoro-5-iodo-3-pyridinyl)ethanol
CID 133055122
1-(3-fluoro-5-iodo-2-pyridinyl)ethanamine
CID 133060048
(1R)-1-(2-fluoro-5-methyl-3-pyridinyl)-2-methylpropan-1-amine
CID 55276202
2-(difluoromethyl)-5-iodopyridin-3-amine
CID 130094620
1-(6-methoxy-4-methyl-3-pyridinyl)-2-methylpropan-1-amine
CID 55296912
3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine
CID 74788017

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine?
The IUPAC name of 3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine (CID 130624544) is 3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine.
What is the SMILES notation for 3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine?
The canonical SMILES for 3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine is CC(C)[C@@H](N)c1cc(I)cnc1N.
What is the InChIKey of 3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine?
The InChIKey is VTKIVIZOKBJVDT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14IN3/c1-5(2)8(11)7-3-6(10)4-13-9(7)12/h3-5,8H,11H2,1-2H3,(H2,12,13)/t8-/m1/s1.
What are the key properties of 3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine?
3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine has a molecular weight of 291.14 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-2-methylpropyl]-5-iodopyridin-2-amine is sourced from PubChem (CID 130624544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).