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

C18H35N3O — CID 134907462

IUPAC2-[(tert-butylamino)methyl]-2-methyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCCCN1CC(C)(CNC(C)(C)C)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H35N3O/c1-6-12-21-14-17(5,13-19-16(2,3)4)20-18(15(21)22)10-8-7-9-11-18/h19-20H,6-14H2,1-5H3
InChIKeyLWRMABAWVPPJOC-UHFFFAOYSA-N
MW309.50 g/mol
LogP2.68
Rot. Bonds4

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

2-[(tert-butylamino)methyl]-2-methyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one (PubChem CID 134907462) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-2-methyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-2-methyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one
PubChem CID134907462
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name2-[(tert-butylamino)methyl]-2-methyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCCCN1CC(C)(CNC(C)(C)C)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H35N3O/c1-6-12-21-14-17(5,13-19-16(2,3)4)20-18(15(21)22)10-8-7-9-11-18/h19-20H,6-14H2,1-5H3
InChIKeyLWRMABAWVPPJOC-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 2-[(tert-butylamino)methyl]-2-methyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 2-[(tert-butylamino)methyl]-2-methyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one (CID 134907462) is 2-[(tert-butylamino)methyl]-2-methyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-2-methyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 2-[(tert-butylamino)methyl]-2-methyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one is CCCN1CC(C)(CNC(C)(C)C)NC2(CCCCC2)C1=O.
What is the InChIKey of 2-[(tert-butylamino)methyl]-2-methyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one?
The InChIKey is LWRMABAWVPPJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-6-12-21-14-17(5,13-19-16(2,3)4)20-18(15(21)22)10-8-7-9-11-18/h19-20H,6-14H2,1-5H3.
What are the key properties of 2-[(tert-butylamino)methyl]-2-methyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one?
2-[(tert-butylamino)methyl]-2-methyl-4-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 2-[(tert-butylamino)methyl]-2-methyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134907462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).