4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one

C9H16N4O — CID 138388239

IUPAC4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C)C12CCN(C)CC2
InChIInChI=1S/C9H16N4O/c1-12-5-3-9(4-6-12)7(10)11-8(14)13(9)2/h3-6H2,1-2H3,(H2,10,11,14)
InChIKeyLHNBWLOAKPXSHJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.08
Rot. Bonds

About 4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one

4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 138388239) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID138388239
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C)C12CCN(C)CC2
InChIInChI=1S/C9H16N4O/c1-12-5-3-9(4-6-12)7(10)11-8(14)13(9)2/h3-6H2,1-2H3,(H2,10,11,14)
InChIKeyLHNBWLOAKPXSHJ-UHFFFAOYSA-N
XLogP0.08
TPSA59.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one (CID 138388239) is 4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(C)C12CCN(C)CC2.
What is the InChIKey of 4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is LHNBWLOAKPXSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12-5-3-9(4-6-12)7(10)11-8(14)13(9)2/h3-6H2,1-2H3,(H2,10,11,14).
What are the key properties of 4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one?
4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138388239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).