N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide

C10H22N2O — CID 89050454

IUPACN-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide
SMILESCN[C@H](CN(C)C(C)=O)C(C)(C)C
InChIInChI=1S/C10H22N2O/c1-8(13)12(6)7-9(11-5)10(2,3)4/h9,11H,7H2,1-6H3/t9-/m1/s1
InChIKeyQRUKXHYWADEZPM-SECBINFHSA-N
MW186.30 g/mol
LogP1.10
Rot. Bonds3

About N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide

N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide (PubChem CID 89050454) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide
PubChem CID89050454
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide
SMILESCN[C@H](CN(C)C(C)=O)C(C)(C)C
InChIInChI=1S/C10H22N2O/c1-8(13)12(6)7-9(11-5)10(2,3)4/h9,11H,7H2,1-6H3/t9-/m1/s1
InChIKeyQRUKXHYWADEZPM-SECBINFHSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide 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-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide (CID 89050454) is N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide is CN[C@H](CN(C)C(C)=O)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide?
The InChIKey is QRUKXHYWADEZPM-SECBINFHSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(13)12(6)7-9(11-5)10(2,3)4/h9,11H,7H2,1-6H3/t9-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide?
N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide has a molecular weight of 186.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylacetamide is sourced from PubChem (CID 89050454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).