8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one

C15H27N3O — CID 138389767

IUPAC8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C12CCCC(C(C)(C)C)CC2
InChIInChI=1S/C15H27N3O/c1-5-18-13(19)17-12(16)15(18)9-6-7-11(8-10-15)14(2,3)4/h11H,5-10H2,1-4H3,(H2,16,17,19)
InChIKeyHCLLDDHIKPOMDJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.37
Rot. Bonds1

About 8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one

8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one (PubChem CID 138389767) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one
PubChem CID138389767
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C12CCCC(C(C)(C)C)CC2
InChIInChI=1S/C15H27N3O/c1-5-18-13(19)17-12(16)15(18)9-6-7-11(8-10-15)14(2,3)4/h11H,5-10H2,1-4H3,(H2,16,17,19)
InChIKeyHCLLDDHIKPOMDJ-UHFFFAOYSA-N
XLogP3.37
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
CID 138390452
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one
CID 138389665
4-imino-1-prop-2-enyl-8-propyl-1,3-diazaspiro[4.6]undecan-2-one
CID 138389825
4-imino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138389710
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one
CID 138388762
6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one
CID 138389503
1-ethyl-4-imino-6,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138389453
4-amino-8-tert-butyl-1-(cyclopropylmethyl)-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79967360
4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
CID 138388761
4-imino-1,9-dipropyl-1,3,9-triazaspiro[4.6]undecan-2-one
CID 138389584
9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one
CID 138390922
4-imino-8-methyl-1-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388849

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one (CID 138389767) is 8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one is [H]/N=C1\NC(=O)N(CC)C12CCCC(C(C)(C)C)CC2.
What is the InChIKey of 8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one?
The InChIKey is HCLLDDHIKPOMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-18-13(19)17-12(16)15(18)9-6-7-11(8-10-15)14(2,3)4/h11H,5-10H2,1-4H3,(H2,16,17,19).
What are the key properties of 8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one?
8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 138389767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).