2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one

C14H26N2O — CID 134975948

IUPAC2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCCCN1CC(C)(C)NC2(CCCCC2)C1=O
InChIInChI=1S/C14H26N2O/c1-4-10-16-11-13(2,3)15-14(12(16)17)8-6-5-7-9-14/h15H,4-11H2,1-3H3
InChIKeyPRZKTAIPNRUAQF-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.31
Rot. Bonds2

About 2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one

2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one (PubChem CID 134975948) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one
PubChem CID134975948
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCCCN1CC(C)(C)NC2(CCCCC2)C1=O
InChIInChI=1S/C14H26N2O/c1-4-10-16-11-13(2,3)15-14(12(16)17)8-6-5-7-9-14/h15H,4-11H2,1-3H3
InChIKeyPRZKTAIPNRUAQF-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one (CID 134975948) is 2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one is CCCN1CC(C)(C)NC2(CCCCC2)C1=O.
What is the InChIKey of 2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one?
The InChIKey is PRZKTAIPNRUAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-10-16-11-13(2,3)15-14(12(16)17)8-6-5-7-9-14/h15H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one?
2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one has a molecular weight of 238.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-propyl-1,4-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134975948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).