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

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Related Compounds

N,N-dimethyl-2-[[(2R)-pentan-2-yl]amino]acetamide
CID 28569844
N,N-dimethyl-2-(4-methylpentan-2-ylamino)acetamide
CID 43310901
N,N-dimethyl-2-(2-methylpentan-3-ylamino)acetamide
CID 43775382
2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide
CID 60964030
2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108801
2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468179
2-(butan-2-ylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
CID 60963182
2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
CID 102992913
methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate
CID 54873462
2-(heptan-4-ylamino)-N,N-dimethylacetamide
CID 43310850
2-(1-cyclobutylpropan-2-ylamino)-N,N-dimethylacetamide
CID 115927364
2-(butan-2-ylamino)-N,N-dihexylacetamide
CID 63497077

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).