2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide

C8H18N2O — CID 28565761

IUPAC2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
SMILESCC[C@H](C)NCC(=O)N(C)C
InChIInChI=1S/C8H18N2O/c1-5-7(2)9-6-8(11)10(3)4/h7,9H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyUGAVYSXDHMRKQB-ZETCQYMHSA-N
MW158.25 g/mol
LogP0.46
Rot. Bonds4

About 2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide

2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide (PubChem CID 28565761) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
PubChem CID28565761
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
SMILESCC[C@H](C)NCC(=O)N(C)C
InChIInChI=1S/C8H18N2O/c1-5-7(2)9-6-8(11)10(3)4/h7,9H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyUGAVYSXDHMRKQB-ZETCQYMHSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide 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-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide (CID 28565761) is 2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide is CC[C@H](C)NCC(=O)N(C)C.
What is the InChIKey of 2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide?
The InChIKey is UGAVYSXDHMRKQB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-7(2)9-6-8(11)10(3)4/h7,9H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of 2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide?
2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide has a molecular weight of 158.25 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 28565761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).