3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one

C18H35N3O — CID 134907463

IUPAC3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCCCN1CC(C)(CNC(C)(C)C)NC(=O)C12CCCCC2
InChIInChI=1S/C18H35N3O/c1-6-12-21-14-17(5,13-19-16(2,3)4)20-15(22)18(21)10-8-7-9-11-18/h19H,6-14H2,1-5H3,(H,20,22)
InChIKeyDJSKOPPOJJWGJN-UHFFFAOYSA-N
MW309.50 g/mol
LogP2.68
Rot. Bonds4

About 3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one

3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one (PubChem CID 134907463) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one
PubChem CID134907463
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCCCN1CC(C)(CNC(C)(C)C)NC(=O)C12CCCCC2
InChIInChI=1S/C18H35N3O/c1-6-12-21-14-17(5,13-19-16(2,3)4)20-15(22)18(21)10-8-7-9-11-18/h19H,6-14H2,1-5H3,(H,20,22)
InChIKeyDJSKOPPOJJWGJN-UHFFFAOYSA-N
XLogP2.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one (CID 134907463) is 3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one is CCCN1CC(C)(CNC(C)(C)C)NC(=O)C12CCCCC2.
What is the InChIKey of 3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one?
The InChIKey is DJSKOPPOJJWGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-6-12-21-14-17(5,13-19-16(2,3)4)20-15(22)18(21)10-8-7-9-11-18/h19H,6-14H2,1-5H3,(H,20,22).
What are the key properties of 3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one?
3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one has a molecular weight of 309.50 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(tert-butylamino)methyl]-3-methyl-1-propyl-1,4-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134907463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).