6-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine

C17H27N3O — CID 63406262

IUPAC6-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine
SMILESCCOc1nc(N2CCC3(CCCCC3)CC2)ccc1N
InChIInChI=1S/C17H27N3O/c1-2-21-16-14(18)6-7-15(19-16)20-12-10-17(11-13-20)8-4-3-5-9-17/h6-7H,2-5,8-13,18H2,1H3
InChIKeyGCJHYJZOJRBGGJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.61
Rot. Bonds3

About 6-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine

6-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine (PubChem CID 63406262) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 6-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine.

Molecular Properties

Compound Name6-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine
PubChem CID63406262
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name6-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine
SMILESCCOc1nc(N2CCC3(CCCCC3)CC2)ccc1N
InChIInChI=1S/C17H27N3O/c1-2-21-16-14(18)6-7-15(19-16)20-12-10-17(11-13-20)8-4-3-5-9-17/h6-7H,2-5,8-13,18H2,1H3
InChIKeyGCJHYJZOJRBGGJ-UHFFFAOYSA-N
XLogP3.61
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
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-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine?
The IUPAC name of 6-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine (CID 63406262) is 6-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine.
What is the SMILES notation for 6-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine?
The canonical SMILES for 6-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine is CCOc1nc(N2CCC3(CCCCC3)CC2)ccc1N.
What is the InChIKey of 6-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine?
The InChIKey is GCJHYJZOJRBGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-21-16-14(18)6-7-15(19-16)20-12-10-17(11-13-20)8-4-3-5-9-17/h6-7H,2-5,8-13,18H2,1H3.
What are the key properties of 6-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine?
6-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine has a molecular weight of 289.42 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azaspiro[5.5]undecan-3-yl)-2-ethoxypyridin-3-amine is sourced from PubChem (CID 63406262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).