N-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide

C13H28N2O — CID 115187736

IUPACN-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
SMILESCNCC(C(=O)N(C)CC(C)(C)C)C(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)11(8-14-6)12(16)15(7)9-13(3,4)5/h10-11,14H,8-9H2,1-7H3
InChIKeyLZXDNNBHGZERPN-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.98
Rot. Bonds5

About N-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide

N-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide (PubChem CID 115187736) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
PubChem CID115187736
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
SMILESCNCC(C(=O)N(C)CC(C)(C)C)C(C)C
InChIInChI=1S/C13H28N2O/c1-10(2)11(8-14-6)12(16)15(7)9-13(3,4)5/h10-11,14H,8-9H2,1-7H3
InChIKeyLZXDNNBHGZERPN-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)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 N-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide (CID 115187736) is N-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide is CNCC(C(=O)N(C)CC(C)(C)C)C(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide?
The InChIKey is LZXDNNBHGZERPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)11(8-14-6)12(16)15(7)9-13(3,4)5/h10-11,14H,8-9H2,1-7H3.
What are the key properties of N-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide?
N-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide has a molecular weight of 228.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide is sourced from PubChem (CID 115187736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).