4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one

C13H23N3O2 — CID 138389785

IUPAC4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C12CCC(C)C(C)C2
InChIInChI=1S/C13H23N3O2/c1-9-4-5-13(8-10(9)2)11(14)15-12(17)16(13)6-7-18-3/h9-10H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyIBXMOWXFQUMNBR-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.83
Rot. Bonds3

About 4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one

4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138389785) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138389785
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C12CCC(C)C(C)C2
InChIInChI=1S/C13H23N3O2/c1-9-4-5-13(8-10(9)2)11(14)15-12(17)16(13)6-7-18-3/h9-10H,4-8H2,1-3H3,(H2,14,15,17)
InChIKeyIBXMOWXFQUMNBR-UHFFFAOYSA-N
XLogP1.83
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
CID 138388761
1-(cyclopropylmethyl)-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138391040
4'-imino-1'-(2-methoxyethyl)-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2'-one
CID 138390461
4-imino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138389710
1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138390897
4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138390466
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one
CID 138388762
6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138390780
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one
CID 138389665
5-ethyl-4-imino-1-(2-methoxyethyl)-5-(methoxymethyl)imidazolidin-2-one
CID 138389794
4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138389399
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-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one (CID 138389785) is 4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CCOC)C12CCC(C)C(C)C2.
What is the InChIKey of 4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is IBXMOWXFQUMNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-4-5-13(8-10(9)2)11(14)15-12(17)16(13)6-7-18-3/h9-10H,4-8H2,1-3H3,(H2,14,15,17).
What are the key properties of 4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 253.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138389785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).