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

C15H27N3O — CID 138389503

IUPAC6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CCCCC2C(C)(C)C
InChIInChI=1S/C15H27N3O/c1-5-10-18-13(19)17-12(16)15(18)9-7-6-8-11(15)14(2,3)4/h11H,5-10H2,1-4H3,(H2,16,17,19)
InChIKeyUOQHYIYBCKAVPM-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.37
Rot. Bonds2

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

6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138389503) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138389503
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CCCCC2C(C)(C)C
InChIInChI=1S/C15H27N3O/c1-5-10-18-13(19)17-12(16)15(18)9-7-6-8-11(15)14(2,3)4/h11H,5-10H2,1-4H3,(H2,16,17,19)
InChIKeyUOQHYIYBCKAVPM-UHFFFAOYSA-N
XLogP3.37
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

6-tert-butyl-4-imino-1-(2-methoxyethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 138390780
4'-imino-1'-propylspiro[3,5,6,7,8,8a-hexahydro-2H-indolizine-1,5'-imidazolidine]-2'-one
CID 138391376
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.6]undecan-2-one
CID 138389665
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one
CID 138388762
4-imino-7,8-dimethyl-1-propyl-1,3-diazaspiro[4.5]decan-2-one
CID 138388761
4-imino-1-propyl-8-oxa-1,3-diazaspiro[4.5]decan-2-one
CID 138389399
4-imino-8-methyl-1-propyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 138388849
4-imino-1-methyl-6-propan-2-yl-1,3-diazaspiro[4.5]decan-2-one
CID 138391379
8-tert-butyl-1-ethyl-4-imino-1,3-diazaspiro[4.6]undecan-2-one
CID 138389767
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
4'-imino-1'-propylspiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2'-one
CID 138389056

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one (CID 138389503) is 6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(CCC)C12CCCCC2C(C)(C)C.
What is the InChIKey of 6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is UOQHYIYBCKAVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-10-18-13(19)17-12(16)15(18)9-7-6-8-11(15)14(2,3)4/h11H,5-10H2,1-4H3,(H2,16,17,19).
What are the key properties of 6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one?
6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-imino-1-propyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138389503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).