4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one

C13H23N3O — CID 138389665

IUPAC4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CCCC(C)CC2
InChIInChI=1S/C13H23N3O/c1-3-9-16-12(17)15-11(14)13(16)7-4-5-10(2)6-8-13/h10H,3-9H2,1-2H3,(H2,14,15,17)
InChIKeyHOSYLPUMWWSCOZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.74
Rot. Bonds2

About 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one

4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one (PubChem CID 138389665) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one
PubChem CID138389665
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CCCC(C)CC2
InChIInChI=1S/C13H23N3O/c1-3-9-16-12(17)15-11(14)13(16)7-4-5-10(2)6-8-13/h10H,3-9H2,1-2H3,(H2,14,15,17)
InChIKeyHOSYLPUMWWSCOZ-UHFFFAOYSA-N
XLogP2.74
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one (CID 138389665) is 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one is [H]/N=C1\NC(=O)N(CCC)C12CCCC(C)CC2.
What is the InChIKey of 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one?
The InChIKey is HOSYLPUMWWSCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-9-16-12(17)15-11(14)13(16)7-4-5-10(2)6-8-13/h10H,3-9H2,1-2H3,(H2,14,15,17).
What are the key properties of 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one?
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 138389665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).