4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one

C11H20N4O — CID 138388776

IUPAC4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C12CCNCC2
InChIInChI=1S/C11H20N4O/c1-8(2)7-15-10(16)14-9(12)11(15)3-5-13-6-4-11/h8,13H,3-7H2,1-2H3,(H2,12,14,16)
InChIKeyVHBVVRBNSBAZLL-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.77
Rot. Bonds2

About 4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one

4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 138388776) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID138388776
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C12CCNCC2
InChIInChI=1S/C11H20N4O/c1-8(2)7-15-10(16)14-9(12)11(15)3-5-13-6-4-11/h8,13H,3-7H2,1-2H3,(H2,12,14,16)
InChIKeyVHBVVRBNSBAZLL-UHFFFAOYSA-N
XLogP0.77
TPSA68.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
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-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one (CID 138388776) is 4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CC(C)C)C12CCNCC2.
What is the InChIKey of 4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is VHBVVRBNSBAZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)7-15-10(16)14-9(12)11(15)3-5-13-6-4-11/h8,13H,3-7H2,1-2H3,(H2,12,14,16).
What are the key properties of 4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one?
4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 224.31 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138388776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).