2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide

C12H25N3O2 — CID 106344659

IUPAC2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C12H25N3O2/c1-5-12(6-2,7-13)11(17)15-9(8(3)4)10(14)16/h8-9H,5-7,13H2,1-4H3,(H2,14,16)(H,15,17)
InChIKeyXUPMCKDKUGEIRT-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.38
Rot. Bonds7

About 2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide

2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide (PubChem CID 106344659) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide
PubChem CID106344659
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C12H25N3O2/c1-5-12(6-2,7-13)11(17)15-9(8(3)4)10(14)16/h8-9H,5-7,13H2,1-4H3,(H2,14,16)(H,15,17)
InChIKeyXUPMCKDKUGEIRT-UHFFFAOYSA-N
XLogP0.38
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide
CID 64568514
2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide
CID 115760359
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
3-methyl-2-(propanoylamino)butanamide
CID 22574980
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide
CID 106345053
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 106346897
2-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
CID 106344655
2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide
CID 115432472
3-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)butanamide
CID 104581253
(2R)-2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825290
ethyl 2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]acetate
CID 106346911
(2R)-2-acetamido-3-methylbutanamide
CID 40561650

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide (CID 106344659) is 2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide is CCC(CC)(CN)C(=O)NC(C(N)=O)C(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide?
The InChIKey is XUPMCKDKUGEIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-12(6-2,7-13)11(17)15-9(8(3)4)10(14)16/h8-9H,5-7,13H2,1-4H3,(H2,14,16)(H,15,17).
What are the key properties of 2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide?
2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide has a molecular weight of 243.35 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide is sourced from PubChem (CID 106344659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).