1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one

C12H21N3O — CID 138389453

IUPAC1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C12CCC(C)CC2C
InChIInChI=1S/C12H21N3O/c1-4-15-11(16)14-10(13)12(15)6-5-8(2)7-9(12)3/h8-9H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyHIBSAWMIRMNXDQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.20
Rot. Bonds1

About 1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one

1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138389453) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138389453
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C12CCC(C)CC2C
InChIInChI=1S/C12H21N3O/c1-4-15-11(16)14-10(13)12(15)6-5-8(2)7-9(12)3/h8-9H,4-7H2,1-3H3,(H2,13,14,16)
InChIKeyHIBSAWMIRMNXDQ-UHFFFAOYSA-N
XLogP2.20
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one
CID 138388762
1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
CID 138390452
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one
CID 138389665
8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one
CID 138389767
4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one
CID 138391376
6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one
CID 138389503
1-(cyclopropylmethyl)-4-imino-5,5-dimethylimidazolidin-2-one
CID 138391112
4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
CID 138388761
1-ethyl-4-imino-5-methyl-5-propylimidazolidin-2-one
CID 138389354
4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one
CID 138391371
6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138390780
1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138391040

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one (CID 138389453) is 1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CC)C12CCC(C)CC2C.
What is the InChIKey of 1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is HIBSAWMIRMNXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-15-11(16)14-10(13)12(15)6-5-8(2)7-9(12)3/h8-9H,4-7H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138389453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).