4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one

C15H27N3O — CID 79959228

IUPAC4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCC(C(C)C)CC2
InChIInChI=1S/C15H27N3O/c1-10(2)9-18-14(19)17-13(16)15(18)7-5-12(6-8-15)11(3)4/h10-12H,5-9H2,1-4H3,(H2,16,17,19)
InChIKeyBXDKVABLXBEFPZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.02
Rot. Bonds3

About 4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one

4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 79959228) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
PubChem CID79959228
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
SMILESCC(C)CN1C(=O)N=C(N)C12CCC(C(C)C)CC2
InChIInChI=1S/C15H27N3O/c1-10(2)9-18-14(19)17-13(16)15(18)7-5-12(6-8-15)11(3)4/h10-12H,5-9H2,1-4H3,(H2,16,17,19)
InChIKeyBXDKVABLXBEFPZ-UHFFFAOYSA-N
XLogP3.02
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one (CID 79959228) is 4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one is CC(C)CN1C(=O)N=C(N)C12CCC(C(C)C)CC2.
What is the InChIKey of 4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is BXDKVABLXBEFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(2)9-18-14(19)17-13(16)15(18)7-5-12(6-8-15)11(3)4/h10-12H,5-9H2,1-4H3,(H2,16,17,19).
What are the key properties of 4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one?
4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methylpropyl)-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79959228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).