3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol

C13H23N3O — CID 106113783

IUPAC3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1cc(N)c(C)cn1
InChIInChI=1S/C13H23N3O/c1-3-4-11(5-6-17)9-16-13-7-12(14)10(2)8-15-13/h7-8,11,17H,3-6,9H2,1-2H3,(H3,14,15,16)
InChIKeyKDFGTWQJFZSHBI-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.18
Rot. Bonds7

About 3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol

3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol (PubChem CID 106113783) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol
PubChem CID106113783
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1cc(N)c(C)cn1
InChIInChI=1S/C13H23N3O/c1-3-4-11(5-6-17)9-16-13-7-12(14)10(2)8-15-13/h7-8,11,17H,3-6,9H2,1-2H3,(H3,14,15,16)
InChIKeyKDFGTWQJFZSHBI-UHFFFAOYSA-N
XLogP2.18
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106115637
2-N-(2,2-difluoroethyl)-5-methylpyridine-2,4-diamine
CID 83266255
3-[(4-amino-3-methylanilino)methyl]hexan-1-ol
CID 114145208
2-N-(2,3-dimethylbutyl)-5-methylpyridine-2,4-diamine
CID 83266034
2-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 114164166
3-[[(6-amino-3-pyridinyl)amino]methyl]hexan-1-ol
CID 106113661
3-[[(6-chloropyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106116854
3-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]hexan-1-ol
CID 106118514
3-[[(5-amino-3-bromo-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113765
3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol
CID 106113747
3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113705
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115719

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol (CID 106113783) is 3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1cc(N)c(C)cn1.
What is the InChIKey of 3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol?
The InChIKey is KDFGTWQJFZSHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-4-11(5-6-17)9-16-13-7-12(14)10(2)8-15-13/h7-8,11,17H,3-6,9H2,1-2H3,(H3,14,15,16).
What are the key properties of 3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol?
3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106113783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).