9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one

C16H22N4O — CID 138390922

IUPAC9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C16H22N4O/c1-2-20-15(21)18-14(17)16(20)9-6-10-19(12-16)11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H2,17,18,21)
InChIKeyKNGRCUPJWRQWEW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.04
Rot. Bonds3

About 9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one

9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one (PubChem CID 138390922) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one
PubChem CID138390922
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C12CCCN(Cc1ccccc1)C2
InChIInChI=1S/C16H22N4O/c1-2-20-15(21)18-14(17)16(20)9-6-10-19(12-16)11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H2,17,18,21)
InChIKeyKNGRCUPJWRQWEW-UHFFFAOYSA-N
XLogP2.04
TPSA59.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.04
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

1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one
CID 138391010
1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
CID 138390452
8-benzyl-1-methyl-1,4,8-triazaspiro[5.5]undecane-3,5-dione
CID 130597226
4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one
CID 79961988
1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138390897
4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one
CID 138389584
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-4-imino-5-methyl-5-propylimidazolidin-2-one
CID 138390340
1-benzyl-4-imino-5-methyl-5-propan-2-ylimidazolidin-2-one
CID 138390342
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one?
The IUPAC name of 9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one (CID 138390922) is 9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CC)C12CCCN(Cc1ccccc1)C2.
What is the InChIKey of 9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one?
The InChIKey is KNGRCUPJWRQWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-20-15(21)18-14(17)16(20)9-6-10-19(12-16)11-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H2,17,18,21).
What are the key properties of 9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one?
9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138390922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).