2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide

C17H34N2O — CID 103966042

IUPAC2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
SMILESCCC(CC)(CN)C(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H34N2O/c1-7-17(8-2,12-18)14(20)19-13-9-15(3,4)11-16(5,6)10-13/h13H,7-12,18H2,1-6H3,(H,19,20)
InChIKeyMHRKGSLFSYAJHN-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.47
Rot. Bonds5

About 2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide

2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide (PubChem CID 103966042) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
PubChem CID103966042
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
SMILESCCC(CC)(CN)C(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C17H34N2O/c1-7-17(8-2,12-18)14(20)19-13-9-15(3,4)11-16(5,6)10-13/h13H,7-12,18H2,1-6H3,(H,19,20)
InChIKeyMHRKGSLFSYAJHN-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide 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 2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide (CID 103966042) is 2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide is CCC(CC)(CN)C(=O)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide?
The InChIKey is MHRKGSLFSYAJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-7-17(8-2,12-18)14(20)19-13-9-15(3,4)11-16(5,6)10-13/h13H,7-12,18H2,1-6H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide?
2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide has a molecular weight of 282.47 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide is sourced from PubChem (CID 103966042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).