4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one

C11H19N3O — CID 138389166

IUPAC4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C)C12CCCC(C)(C)C2
InChIInChI=1S/C11H19N3O/c1-10(2)5-4-6-11(7-10)8(12)13-9(15)14(11)3/h4-7H2,1-3H3,(H2,12,13,15)
InChIKeyNXJKRGXEODFJFF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.96
Rot. Bonds

About 4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one

4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138389166) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138389166
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C)C12CCCC(C)(C)C2
InChIInChI=1S/C11H19N3O/c1-10(2)5-4-6-11(7-10)8(12)13-9(15)14(11)3/h4-7H2,1-3H3,(H2,12,13,15)
InChIKeyNXJKRGXEODFJFF-UHFFFAOYSA-N
XLogP1.96
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138388563
4-imino-1,7,7-trimethyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138388521
4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388239
4-imino-8,8-dimethyl-1-prop-2-enyl-1,3-diazaspiro[4.4]nonan-2-one
CID 138391195
4-imino-1,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138388436
1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
CID 138390452
5-butan-2-yl-4-imino-1,5-dimethylimidazolidin-2-one
CID 138388444
4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one
CID 138389584
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one
CID 138389665
4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one
CID 138391379
4-imino-7,7-dimethyl-1-propan-2-yl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138390786
4-imino-8-methyl-1-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388849

Frequently Asked Questions

What is the IUPAC name of 4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one (CID 138389166) is 4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(C)C12CCCC(C)(C)C2.
What is the InChIKey of 4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is NXJKRGXEODFJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2)5-4-6-11(7-10)8(12)13-9(15)14(11)3/h4-7H2,1-3H3,(H2,12,13,15).
What are the key properties of 4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one?
4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1,7,7-trimethyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138389166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).