2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen

C10H26N2O — CID 169244569

IUPAC2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen
SMILESCCC(CC)(NC(C)C)C(=O)NC.[H][H].[H][H]
InChIInChI=1S/C10H22N2O.2H2/c1-6-10(7-2,9(13)11-5)12-8(3)4;;/h8,12H,6-7H2,1-5H3,(H,11,13);2*1H
InChIKeyNBOIESQFLJSOFM-UHFFFAOYSA-N
MW190.33 g/mol
LogP1.78
Rot. Bonds5

About 2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen

2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen (PubChem CID 169244569) has the molecular formula C10H26N2O and a molecular weight of 190.33 g/mol. Its IUPAC name is 2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen.

Molecular Properties

Compound Name2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen
PubChem CID169244569
Molecular FormulaC10H26N2O
Molecular Weight190.33 g/mol
Exact Mass190.20
IUPAC Name2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen
SMILESCCC(CC)(NC(C)C)C(=O)NC.[H][H].[H][H]
InChIInChI=1S/C10H22N2O.2H2/c1-6-10(7-2,9(13)11-5)12-8(3)4;;/h8,12H,6-7H2,1-5H3,(H,11,13);2*1H
InChIKeyNBOIESQFLJSOFM-UHFFFAOYSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-2-ethyl-N-methylbutanamide;hydrate
CID 45120258
2-hydroxy-N,2-dimethylbutanamide
CID 22213750
5-tert-butylsulfanyl-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807286
5-(2-ethoxyethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106806827
3-ethyl-6-methyl-N,5-di(propan-2-yl)heptan-3-amine
CID 146474231
2-ethyl-2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 79810156
5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807136
5-(azepan-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106805653
3-[3-(hydroxymethyl)pentan-3-ylamino]-N-methylbutanamide
CID 115920289
2-ethyl-5-(3-methoxypropylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 106807566
(E,4S)-4-[[(2S)-2-[[2-ethyl-2-(propan-2-ylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
CID 58649961
2-ethyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 79804484

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen?
The IUPAC name of 2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen (CID 169244569) is 2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen.
What is the SMILES notation for 2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen?
The canonical SMILES for 2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen is CCC(CC)(NC(C)C)C(=O)NC.[H][H].[H][H].
What is the InChIKey of 2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen?
The InChIKey is NBOIESQFLJSOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.2H2/c1-6-10(7-2,9(13)11-5)12-8(3)4;;/h8,12H,6-7H2,1-5H3,(H,11,13);2*1H.
What are the key properties of 2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen?
2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen has a molecular weight of 190.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen is sourced from PubChem (CID 169244569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).