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

C16H29N3O2 — CID 106251317

IUPAC2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1ccc(N)c(OCC(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-5-16(6-2,11-20)10-18-14-8-7-13(17)15(19-14)21-9-12(3)4/h7-8,12,20H,5-6,9-11,17H2,1-4H3,(H,18,19)
InChIKeyYOZLOVYWPFSTKE-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.91
Rot. Bonds9

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

2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol (PubChem CID 106251317) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol
PubChem CID106251317
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNc1ccc(N)c(OCC(C)C)n1
InChIInChI=1S/C16H29N3O2/c1-5-16(6-2,11-20)10-18-14-8-7-13(17)15(19-14)21-9-12(3)4/h7-8,12,20H,5-6,9-11,17H2,1-4H3,(H,18,19)
InChIKeyYOZLOVYWPFSTKE-UHFFFAOYSA-N
XLogP2.91
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
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

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Related Compounds

3-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43261814
3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol
CID 106113747
2-N-(5-methylhexyl)-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 115324708
2-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]propan-1-ol
CID 43498930
3-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 66170948
2-N-[2-[ethyl(methyl)amino]ethyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 62636467
4-[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]butanamide
CID 60863727
6-(2-methylpropoxy)-2-N-(4,4,4-trifluorobutyl)pyridine-2,5-diamine
CID 115515323
2-N-[(1-methylcyclopentyl)methyl]-6-(2-methylpropoxy)pyridine-2,5-diamine
CID 63820939
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 114150970
6-ethoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 43261092
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 106141224

Frequently Asked Questions

What is the IUPAC name of 2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol (CID 106251317) is 2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNc1ccc(N)c(OCC(C)C)n1.
What is the InChIKey of 2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol?
The InChIKey is YOZLOVYWPFSTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-16(6-2,11-20)10-18-14-8-7-13(17)15(19-14)21-9-12(3)4/h7-8,12,20H,5-6,9-11,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol?
2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol has a molecular weight of 295.43 g/mol, XLogP of 2.91, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106251317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).