3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol

C15H27N3O2 — CID 106113705

IUPAC3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C15H27N3O2/c1-4-5-12(8-9-19)10-17-14-7-6-13(16)15(18-14)20-11(2)3/h6-7,11-12,19H,4-5,8-10,16H2,1-3H3,(H,17,18)
InChIKeyBUUMMJPAKFSIEZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.66
Rot. Bonds9

About 3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol

3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol (PubChem CID 106113705) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol
PubChem CID106113705
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ccc(N)c(OC(C)C)n1
InChIInChI=1S/C15H27N3O2/c1-4-5-12(8-9-19)10-17-14-7-6-13(16)15(18-14)20-11(2)3/h6-7,11-12,19H,4-5,8-10,16H2,1-3H3,(H,17,18)
InChIKeyBUUMMJPAKFSIEZ-UHFFFAOYSA-N
XLogP2.66
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[(5-amino-6-propan-2-yloxy-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-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol
CID 106113747
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115719
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]acetic acid
CID 62253683
2-N-(4-methylpentyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63004628
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 107864556
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248203
3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113783
2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine
CID 107819858
3-[(4-amino-3-methylanilino)methyl]hexan-1-ol
CID 114145208
2-N-(2-methoxy-2-methylpropyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 113449896
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184001
6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
CID 114145368

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol (CID 106113705) is 3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1ccc(N)c(OC(C)C)n1.
What is the InChIKey of 3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol?
The InChIKey is BUUMMJPAKFSIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-5-12(8-9-19)10-17-14-7-6-13(16)15(18-14)20-11(2)3/h6-7,11-12,19H,4-5,8-10,16H2,1-3H3,(H,17,18).
What are the key properties of 3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol?
3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106113705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).