3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine

C13H24N2O — CID 170738061

IUPAC3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine
SMILESCCC1NCC12CC(NC1CCOCC1)C2
InChIInChI=1S/C13H24N2O/c1-2-12-13(9-14-12)7-11(8-13)15-10-3-5-16-6-4-10/h10-12,14-15H,2-9H2,1H3
InChIKeyREIGNRCHDLMDBX-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.29
Rot. Bonds3

About 3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine

3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine (PubChem CID 170738061) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine.

Molecular Properties

Compound Name3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine
PubChem CID170738061
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine
SMILESCCC1NCC12CC(NC1CCOCC1)C2
InChIInChI=1S/C13H24N2O/c1-2-12-13(9-14-12)7-11(8-13)15-10-3-5-16-6-4-10/h10-12,14-15H,2-9H2,1H3
InChIKeyREIGNRCHDLMDBX-UHFFFAOYSA-N
XLogP1.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine?
The IUPAC name of 3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine (CID 170738061) is 3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine.
What is the SMILES notation for 3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine?
The canonical SMILES for 3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine is CCC1NCC12CC(NC1CCOCC1)C2.
What is the InChIKey of 3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine?
The InChIKey is REIGNRCHDLMDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-12-13(9-14-12)7-11(8-13)15-10-3-5-16-6-4-10/h10-12,14-15H,2-9H2,1H3.
What are the key properties of 3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine?
3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine has a molecular weight of 224.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(oxan-4-yl)-2-azaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 170738061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).