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

C16H22N4O — CID 138391010

IUPAC1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(Cc2ccccc2)C12CCN(CC)CC2
InChIInChI=1S/C16H22N4O/c1-2-19-10-8-16(9-11-19)14(17)18-15(21)20(16)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,17,18,21)
InChIKeyVFNOHVPZOLCLGT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.04
Rot. Bonds3

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

1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 138391010) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID138391010
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(Cc2ccccc2)C12CCN(CC)CC2
InChIInChI=1S/C16H22N4O/c1-2-19-10-8-16(9-11-19)14(17)18-15(21)20(16)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,17,18,21)
InChIKeyVFNOHVPZOLCLGT-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

9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one
CID 138390922
1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138390897
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
4-imino-8-methyl-1-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388849
1-benzyl-4-imino-5-methyl-5-pentylimidazolidin-2-one
CID 138391184
1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
CID 138390452
4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one
CID 138389584
1-(cyclopropylmethyl)-4-imino-8-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138391051
1-benzyl-5-(2,2-dimethoxyethyl)-4-imino-5-methylimidazolidin-2-one
CID 138390974
1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143670
4-imino-1,8-dimethyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388239

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one (CID 138391010) is 1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(Cc2ccccc2)C12CCN(CC)CC2.
What is the InChIKey of 1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is VFNOHVPZOLCLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-19-10-8-16(9-11-19)14(17)18-15(21)20(16)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,17,18,21).
What are the key properties of 1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one?
1-benzyl-8-ethyl-4-imino-1,3,8-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 1-benzyl-8-ethyl-4-imino-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138391010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).