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

C16H29N3O2 — CID 106113747

IUPAC3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ccc(N)c(OCC(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-4-5-13(8-9-20)10-18-15-7-6-14(17)16(19-15)21-11-12(2)3/h6-7,12-13,20H,4-5,8-11,17H2,1-3H3,(H,18,19)
InChIKeyFHBISLUKQWFOON-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.91
Rot. Bonds10

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

3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol (PubChem CID 106113747) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol
PubChem CID106113747
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1ccc(N)c(OCC(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-4-5-13(8-9-20)10-18-15-7-6-14(17)16(19-15)21-11-12(2)3/h6-7,12-13,20H,4-5,8-11,17H2,1-3H3,(H,18,19)
InChIKeyFHBISLUKQWFOON-UHFFFAOYSA-N
XLogP2.91
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol with MolForge

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Related Compounds

3-[[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113705
3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43261814
2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol
CID 106251317
2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 115324708
1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151147
2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine
CID 107819858
2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43498930
3-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]hexan-1-ol
CID 106113783
4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide
CID 60863727
2-N-[2-[ethyl(methyl)amino]ethyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 62636467
2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 63820939
5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154613

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol (CID 106113747) is 3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol is CCCC(CCO)CNc1ccc(N)c(OCC(C)C)n1.
What is the InChIKey of 3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol?
The InChIKey is FHBISLUKQWFOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-5-13(8-9-20)10-18-15-7-6-14(17)16(19-15)21-11-12(2)3/h6-7,12-13,20H,4-5,8-11,17H2,1-3H3,(H,18,19).
What are the key properties of 3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol?
3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol has a molecular weight of 295.43 g/mol, XLogP of 2.91, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol is sourced from PubChem (CID 106113747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).