4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one

C11H20N4O — CID 138389607

IUPAC4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C12CCN(C)C2
InChIInChI=1S/C11H20N4O/c1-8(2)6-15-10(16)13-9(12)11(15)4-5-14(3)7-11/h8H,4-7H2,1-3H3,(H2,12,13,16)
InChIKeyNQTHOBWJIWRDRU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.72
Rot. Bonds2

About 4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one

4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one (PubChem CID 138389607) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one
PubChem CID138389607
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one
SMILES[H]/N=C1\NC(=O)N(CC(C)C)C12CCN(C)C2
InChIInChI=1S/C11H20N4O/c1-8(2)6-15-10(16)13-9(12)11(15)4-5-14(3)7-11/h8H,4-7H2,1-3H3,(H2,12,13,16)
InChIKeyNQTHOBWJIWRDRU-UHFFFAOYSA-N
XLogP0.72
TPSA59.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.72
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-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388776
4-imino-1-(2-methylpropyl)-8,8-dioxo-8λ6-thia-1,3-diazaspiro[4.5]decan-2-one
CID 138389423
4-imino-8-methyl-1-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388849
1-cyclopropyl-4-imino-7-methyl-1,3,7-triazaspiro[4.4]nonan-2-one
CID 138388942
5-ethyl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388406
4-imino-8-methyl-1-(2-methylpropyl)-7-thia-1,3-diazaspiro[4.4]nonan-2-one
CID 138389417
4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388239
5-butan-2-yl-4-imino-5-methyl-1-(2-methylpropyl)imidazolidin-2-one
CID 138388328
4'-imino-1'-(2-methylpropyl)spiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one
CID 138391371
4'-imino-1'-(2-methylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2'-one
CID 138389334
4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one
CID 138389584
1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
CID 138390452

Frequently Asked Questions

What is the IUPAC name of 4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one?
The IUPAC name of 4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one (CID 138389607) is 4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one?
The canonical SMILES for 4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one is [H]/N=C1\NC(=O)N(CC(C)C)C12CCN(C)C2.
What is the InChIKey of 4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one?
The InChIKey is NQTHOBWJIWRDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)6-15-10(16)13-9(12)11(15)4-5-14(3)7-11/h8H,4-7H2,1-3H3,(H2,12,13,16).
What are the key properties of 4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one?
4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one has a molecular weight of 224.31 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-7-methyl-1-(2-methylpropyl)-1,3,7-triazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 138389607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).