3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol

C12H20BrN3O — CID 106113765

IUPAC3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ncc(N)cc1Br
InChIInChI=1S/C12H20BrN3O/c1-2-3-9(4-5-17)7-15-12-11(13)6-10(14)8-16-12/h6,8-9,17H,2-5,7,14H2,1H3,(H,15,16)
InChIKeyLAOSEAKGOFXZRN-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.64
Rot. Bonds7

About 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol

3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol (PubChem CID 106113765) has the molecular formula C12H20BrN3O and a molecular weight of 302.22 g/mol. Its IUPAC name is 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol
PubChem CID106113765
Molecular FormulaC12H20BrN3O
Molecular Weight302.22 g/mol
Exact Mass301.08
IUPAC Name3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ncc(N)cc1Br
InChIInChI=1S/C12H20BrN3O/c1-2-3-9(4-5-17)7-15-12-11(13)6-10(14)8-16-12/h6,8-9,17H,2-5,7,14H2,1H3,(H,15,16)
InChIKeyLAOSEAKGOFXZRN-UHFFFAOYSA-N
XLogP2.64
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3-bromo-5-nitro-2-pyridinyl)amino]methyl]hexan-1-ol
CID 103730038
3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113783
3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol
CID 106113661
4-[(5-amino-3-bromo-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106140711
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]methyl]pentan-1-ol
CID 104507039
3-[[(5-amino-6-propoxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106113772
3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106118660
2-N-(2-ethylhexyl)-3-methylpyridine-2,5-diamine
CID 107819841
3-bromo-2-N-(2,2-dimethylpropyl)pyridine-2,5-diamine
CID 79532457
3-[(4-amino-3-methylanilino)methyl]hexan-1-ol
CID 114145208
3-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116858
3-bromo-2-N-(1-methoxypentan-2-yl)pyridine-2,5-diamine
CID 79535461

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol (CID 106113765) is 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1ncc(N)cc1Br.
What is the InChIKey of 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol?
The InChIKey is LAOSEAKGOFXZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O/c1-2-3-9(4-5-17)7-15-12-11(13)6-10(14)8-16-12/h6,8-9,17H,2-5,7,14H2,1H3,(H,15,16).
What are the key properties of 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol?
3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol has a molecular weight of 302.22 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106113765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).