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

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Related Compounds

(2S)-2-amino-N-(cyanomethyl)-N-ethyl-3,3-dimethylbutanamide
CID 10130367
(2S)-2-amino-N-(cyanomethyl)-N,3,3-trimethylbutanamide
CID 23645883
(2S)-2-Amino-N,3,3-trimethylbutanamide
CID 445856
(2S)-2-amino-N-[(1S)-1-cyanoethyl]-3,3-dimethylbutanamide
CID 23645890
(2S)-2-amino-N-butyl-N-(cyanomethyl)-3,3-dimethylbutanamide
CID 23645884
2-Amino-N,3,3-Trimethylbutanamide
CID 3496445
3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
N,N'-1,2-propanediylbis(2,2-dimethylpropanamide)
CID 2932311
N-{2-[(3,3-dimethylbutanoyl)amino]-1-methylethyl}-3,3-dimethylbutanamide
CID 4360846
N-(3,3-dimethylbutyl)-2-piperazin-1-ylacetamide
CID 49853674
N-methyl-N-[2-(methylamino)propyl]acetamide
CID 9877403
5-Tert-butylpiperazin-2-one
CID 59765867

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).