3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol

C11H18BrN3O — CID 65102801

IUPAC3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ncc(Br)cc1N
InChIInChI=1S/C11H18BrN3O/c1-3-11(16,4-2)7-15-10-9(13)5-8(12)6-14-10/h5-6,16H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyDQWWTVJEMOWYOE-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.39
Rot. Bonds5

About 3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol

3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol (PubChem CID 65102801) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol
PubChem CID65102801
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNc1ncc(Br)cc1N
InChIInChI=1S/C11H18BrN3O/c1-3-11(16,4-2)7-15-10-9(13)5-8(12)6-14-10/h5-6,16H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyDQWWTVJEMOWYOE-UHFFFAOYSA-N
XLogP2.39
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol with MolForge

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Related Compounds

5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
CID 61229242
1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 66278899
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
CID 113293132
3-[[(3-amino-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102956
4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
CID 64926877
5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 63225930
1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306109
3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106095644
5-bromo-2-hydrazinylpyridin-3-amine
CID 139593186
5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154564
5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine
CID 106369478

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol (CID 65102801) is 3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNc1ncc(Br)cc1N.
What is the InChIKey of 3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol?
The InChIKey is DQWWTVJEMOWYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-3-11(16,4-2)7-15-10-9(13)5-8(12)6-14-10/h5-6,16H,3-4,7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol?
3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol has a molecular weight of 288.19 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65102801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).