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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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).