N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide

C13H25N3O — CID 118738744

IUPACN-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCC(C)NC(=O)N1CCCC2(CCCCN2)C1
InChIInChI=1S/C13H25N3O/c1-11(2)15-12(17)16-9-5-7-13(10-16)6-3-4-8-14-13/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyJJDDWFLCXUCJPL-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.71
Rot. Bonds1

About N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide

N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 118738744) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID118738744
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESCC(C)NC(=O)N1CCCC2(CCCCN2)C1
InChIInChI=1S/C13H25N3O/c1-11(2)15-12(17)16-9-5-7-13(10-16)6-3-4-8-14-13/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyJJDDWFLCXUCJPL-UHFFFAOYSA-N
XLogP1.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide (CID 118738744) is N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide is CC(C)NC(=O)N1CCCC2(CCCCN2)C1.
What is the InChIKey of N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is JJDDWFLCXUCJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)15-12(17)16-9-5-7-13(10-16)6-3-4-8-14-13/h11,14H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide?
N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 118738744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).