2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone

C12H23N3O — CID 71649157

IUPAC2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESNCC(=O)N1CCC2(CCC(CN)CC2)C1
InChIInChI=1S/C12H23N3O/c13-7-10-1-3-12(4-2-10)5-6-15(9-12)11(16)8-14/h10H,1-9,13-14H2
InChIKeyHIQFIIYNZVGOPY-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.31
Rot. Bonds2

About 2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone

2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone (PubChem CID 71649157) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone
PubChem CID71649157
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone
SMILESNCC(=O)N1CCC2(CCC(CN)CC2)C1
InChIInChI=1S/C12H23N3O/c13-7-10-1-3-12(4-2-10)5-6-15(9-12)11(16)8-14/h10H,1-9,13-14H2
InChIKeyHIQFIIYNZVGOPY-UHFFFAOYSA-N
XLogP0.31
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone?
The IUPAC name of 2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone (CID 71649157) is 2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone.
What is the SMILES notation for 2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone?
The canonical SMILES for 2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone is NCC(=O)N1CCC2(CCC(CN)CC2)C1.
What is the InChIKey of 2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone?
The InChIKey is HIQFIIYNZVGOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c13-7-10-1-3-12(4-2-10)5-6-15(9-12)11(16)8-14/h10H,1-9,13-14H2.
What are the key properties of 2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone?
2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone has a molecular weight of 225.34 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[8-(aminomethyl)-2-azaspiro[4.5]decan-2-yl]ethanone is sourced from PubChem (CID 71649157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).