2-(3-azaspiro[5.5]undecan-3-yl)butanamide

C14H26N2O — CID 62921660

IUPAC2-(3-azaspiro[5.5]undecan-3-yl)butanamide
SMILESCCC(C(N)=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-2-12(13(15)17)16-10-8-14(9-11-16)6-4-3-5-7-14/h12H,2-11H2,1H3,(H2,15,17)
InChIKeyCYVOSVUKMUOQIH-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.30
Rot. Bonds3

About 2-(3-azaspiro[5.5]undecan-3-yl)butanamide

2-(3-azaspiro[5.5]undecan-3-yl)butanamide (PubChem CID 62921660) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-yl)butanamide.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-yl)butanamide
PubChem CID62921660
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(3-azaspiro[5.5]undecan-3-yl)butanamide
SMILESCCC(C(N)=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-2-12(13(15)17)16-10-8-14(9-11-16)6-4-3-5-7-14/h12H,2-11H2,1H3,(H2,15,17)
InChIKeyCYVOSVUKMUOQIH-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)butanamide?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)butanamide (CID 62921660) is 2-(3-azaspiro[5.5]undecan-3-yl)butanamide.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-yl)butanamide?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-yl)butanamide is CCC(C(N)=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-yl)butanamide?
The InChIKey is CYVOSVUKMUOQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-12(13(15)17)16-10-8-14(9-11-16)6-4-3-5-7-14/h12H,2-11H2,1H3,(H2,15,17).
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-yl)butanamide?
2-(3-azaspiro[5.5]undecan-3-yl)butanamide has a molecular weight of 238.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-yl)butanamide is sourced from PubChem (CID 62921660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).