6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one

C15H27N3O2 — CID 138390780

IUPAC6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C12CCCCC2C(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-14(2,3)11-7-5-6-8-15(11)12(16)17-13(19)18(15)9-10-20-4/h11H,5-10H2,1-4H3,(H2,16,17,19)
InChIKeyLWWRDSBSYMDKPA-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.61
Rot. Bonds3

About 6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one

6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138390780) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138390780
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CCOC)C12CCCCC2C(C)(C)C
InChIInChI=1S/C15H27N3O2/c1-14(2,3)11-7-5-6-8-15(11)12(16)17-13(19)18(15)9-10-20-4/h11H,5-10H2,1-4H3,(H2,16,17,19)
InChIKeyLWWRDSBSYMDKPA-UHFFFAOYSA-N
XLogP2.61
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.61
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

6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one
CID 138389503
4-imino-1-(2-methoxyethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138389710
4-imino-1-(2-methoxyethyl)-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
CID 138389785
4'-imino-1'-(2-methoxyethyl)-8-methylspiro[8-azabicyclo[3.2.1]octane-3,5'-imidazolidine]-2'-one
CID 138390461
4-imino-1-(2-methoxyethyl)-7-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138390466
4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one
CID 138391379
4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one
CID 138391376
5-ethyl-4-imino-1-(2-methoxyethyl)-5-(methoxymethyl)imidazolidin-2-one
CID 138389794
8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one
CID 138389767
4-imino-1,6-di(propan-2-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 138391382
5-heptyl-4-imino-1-(2-methoxyethyl)-5-methylimidazolidin-2-one
CID 138390848
1-ethyl-4-imino-1,3-diazaspiro[4.5]decan-2-one
CID 138390452

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one (CID 138390780) is 6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CCOC)C12CCCCC2C(C)(C)C.
What is the InChIKey of 6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is LWWRDSBSYMDKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-14(2,3)11-7-5-6-8-15(11)12(16)17-13(19)18(15)9-10-20-4/h11H,5-10H2,1-4H3,(H2,16,17,19).
What are the key properties of 6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one?
6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 281.40 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138390780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).