N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide

C13H24N2O — CID 115267744

IUPACN-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CC2CC(N)CC2C1
InChIInChI=1S/C13H24N2O/c1-13(2,3)12(16)15-11-6-8-4-10(14)5-9(8)7-11/h8-11H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyZLVUXXXLKYSHCQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.66
Rot. Bonds1

About N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide

N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide (PubChem CID 115267744) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide
PubChem CID115267744
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CC2CC(N)CC2C1
InChIInChI=1S/C13H24N2O/c1-13(2,3)12(16)15-11-6-8-4-10(14)5-9(8)7-11/h8-11H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyZLVUXXXLKYSHCQ-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide (CID 115267744) is N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CC2CC(N)CC2C1.
What is the InChIKey of N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide?
The InChIKey is ZLVUXXXLKYSHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2,3)12(16)15-11-6-8-4-10(14)5-9(8)7-11/h8-11H,4-7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide?
N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide has a molecular weight of 224.35 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 115267744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).