4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one

C19H37N3O — CID 134907666

IUPAC4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCC(C)(C)NCC1(C)CN(C(C)(C)C)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C19H37N3O/c1-16(2,3)20-13-18(7)14-22(17(4,5)6)15(23)19(21-18)11-9-8-10-12-19/h20-21H,8-14H2,1-7H3
InChIKeyVGSMYCLABSWHHR-UHFFFAOYSA-N
MW323.53 g/mol
LogP3.07
Rot. Bonds2

About 4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one

4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one (PubChem CID 134907666) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is 4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one
PubChem CID134907666
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Name4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCC(C)(C)NCC1(C)CN(C(C)(C)C)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C19H37N3O/c1-16(2,3)20-13-18(7)14-22(17(4,5)6)15(23)19(21-18)11-9-8-10-12-19/h20-21H,8-14H2,1-7H3
InChIKeyVGSMYCLABSWHHR-UHFFFAOYSA-N
XLogP3.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one (CID 134907666) is 4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one is CC(C)(C)NCC1(C)CN(C(C)(C)C)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one?
The InChIKey is VGSMYCLABSWHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-16(2,3)20-13-18(7)14-22(17(4,5)6)15(23)19(21-18)11-9-8-10-12-19/h20-21H,8-14H2,1-7H3.
What are the key properties of 4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one?
4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one has a molecular weight of 323.53 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(tert-butylamino)methyl]-2-methyl-1,4-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134907666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).