3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one

C14H27N3O — CID 114134810

IUPAC3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(C)N(C)CCN1CNC2(CCCC2)C1=O
InChIInChI=1S/C14H27N3O/c1-4-12(2)16(3)9-10-17-11-15-14(13(17)18)7-5-6-8-14/h12,15H,4-11H2,1-3H3
InChIKeyVNIFKGITGNFYRO-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.42
Rot. Bonds5

About 3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one

3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 114134810) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID114134810
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(C)N(C)CCN1CNC2(CCCC2)C1=O
InChIInChI=1S/C14H27N3O/c1-4-12(2)16(3)9-10-17-11-15-14(13(17)18)7-5-6-8-14/h12,15H,4-11H2,1-3H3
InChIKeyVNIFKGITGNFYRO-UHFFFAOYSA-N
XLogP1.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one (CID 114134810) is 3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one is CCC(C)N(C)CCN1CNC2(CCCC2)C1=O.
What is the InChIKey of 3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is VNIFKGITGNFYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-12(2)16(3)9-10-17-11-15-14(13(17)18)7-5-6-8-14/h12,15H,4-11H2,1-3H3.
What are the key properties of 3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one?
3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 253.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[butan-2-yl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 114134810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).