6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

C16H27N3O — CID 43260821

IUPAC6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC(C)(C)Oc1nc(N2CCCCCCC2)ccc1N
InChIInChI=1S/C16H27N3O/c1-16(2,3)20-15-13(17)9-10-14(18-15)19-11-7-5-4-6-8-12-19/h9-10H,4-8,11-12,17H2,1-3H3
InChIKeyYRPZQGXGBWHJLZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.61
Rot. Bonds2

About 6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine

6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (PubChem CID 43260821) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.

Molecular Properties

Compound Name6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
PubChem CID43260821
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
SMILESCC(C)(C)Oc1nc(N2CCCCCCC2)ccc1N
InChIInChI=1S/C16H27N3O/c1-16(2,3)20-15-13(17)9-10-14(18-15)19-11-7-5-4-6-8-12-19/h9-10H,4-8,11-12,17H2,1-3H3
InChIKeyYRPZQGXGBWHJLZ-UHFFFAOYSA-N
XLogP3.61
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The IUPAC name of 6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine (CID 43260821) is 6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine.
What is the SMILES notation for 6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The canonical SMILES for 6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is CC(C)(C)Oc1nc(N2CCCCCCC2)ccc1N.
What is the InChIKey of 6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
The InChIKey is YRPZQGXGBWHJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2,3)20-15-13(17)9-10-14(18-15)19-11-7-5-4-6-8-12-19/h9-10H,4-8,11-12,17H2,1-3H3.
What are the key properties of 6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine?
6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine has a molecular weight of 277.41 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azocan-1-yl)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine is sourced from PubChem (CID 43260821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).