4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide

C16H30N2O2 — CID 80714834

IUPAC4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide
SMILESCC(C)(C)C(CCN)CCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C16H30N2O2/c1-16(2,3)11(8-9-17)4-7-15(19)18-13-10-12-5-6-14(13)20-12/h11-14H,4-10,17H2,1-3H3,(H,18,19)
InChIKeyWSCOYWZHDIKIHE-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.21
Rot. Bonds6

About 4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide

4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide (PubChem CID 80714834) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide
PubChem CID80714834
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide
SMILESCC(C)(C)C(CCN)CCC(=O)NC1CC2CCC1O2
InChIInChI=1S/C16H30N2O2/c1-16(2,3)11(8-9-17)4-7-15(19)18-13-10-12-5-6-14(13)20-12/h11-14H,4-10,17H2,1-3H3,(H,18,19)
InChIKeyWSCOYWZHDIKIHE-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide?
The IUPAC name of 4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide (CID 80714834) is 4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide?
The canonical SMILES for 4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide is CC(C)(C)C(CCN)CCC(=O)NC1CC2CCC1O2.
What is the InChIKey of 4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide?
The InChIKey is WSCOYWZHDIKIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)11(8-9-17)4-7-15(19)18-13-10-12-5-6-14(13)20-12/h11-14H,4-10,17H2,1-3H3,(H,18,19).
What are the key properties of 4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide?
4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide has a molecular weight of 282.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5,5-dimethyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)hexanamide is sourced from PubChem (CID 80714834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).