2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide

C12H27N3O — CID 79813844

IUPAC2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NC(C)CCN(C)C
InChIInChI=1S/C12H27N3O/c1-6-12(13,7-2)11(16)14-10(3)8-9-15(4)5/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyPGGPZDUCURZDBO-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.96
Rot. Bonds7

About 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide

2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide (PubChem CID 79813844) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide
PubChem CID79813844
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NC(C)CCN(C)C
InChIInChI=1S/C12H27N3O/c1-6-12(13,7-2)11(16)14-10(3)8-9-15(4)5/h10H,6-9,13H2,1-5H3,(H,14,16)
InChIKeyPGGPZDUCURZDBO-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylpropanamide
CID 62044781
N-[4-(dimethylamino)butan-2-yl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76921205
ethyl 2-[4-(dimethylamino)butan-2-ylcarbamoyl]-3,3-dimethylbutanoate
CID 116537897
3-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65264235
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79813438
2-amino-N-[5-(diethylamino)pentan-2-yl]-2-methylbutanamide
CID 79797132
(2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 107826942
(2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid
CID 79814047
5-amino-N-[4-(dimethylamino)butan-2-yl]hexanamide
CID 82851936
2-[4-(dimethylamino)butan-2-ylamino]-N-pentan-2-ylacetamide
CID 54963536
(2S)-2-[(2-amino-2-ethylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 79813832
2-amino-2-ethyl-N-(1-methoxypentan-2-yl)butanamide
CID 79813031

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide?
The IUPAC name of 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide (CID 79813844) is 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide is CCC(N)(CC)C(=O)NC(C)CCN(C)C.
What is the InChIKey of 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide?
The InChIKey is PGGPZDUCURZDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-6-12(13,7-2)11(16)14-10(3)8-9-15(4)5/h10H,6-9,13H2,1-5H3,(H,14,16).
What are the key properties of 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide?
2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide has a molecular weight of 229.37 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(dimethylamino)butan-2-yl]-2-ethylbutanamide is sourced from PubChem (CID 79813844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).