2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide

C12H25N3O2 — CID 106096112

IUPAC2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C12H25N3O2/c1-5-12(6-2,8-13)10(17)15-11(3,4)7-9(14)16/h5-8,13H2,1-4H3,(H2,14,16)(H,15,17)
InChIKeyVJCQHQFEUQGWFD-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.52
Rot. Bonds7

About 2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide

2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide (PubChem CID 106096112) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide
PubChem CID106096112
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NC(C)(C)CC(N)=O
InChIInChI=1S/C12H25N3O2/c1-5-12(6-2,8-13)10(17)15-11(3,4)7-9(14)16/h5-8,13H2,1-4H3,(H2,14,16)(H,15,17)
InChIKeyVJCQHQFEUQGWFD-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
CID 106096105
methyl 2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylpropanoate
CID 115431856
2-(aminomethyl)-2-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865773
3-(tert-butylcarbamoylamino)-3-methylbutanamide
CID 106096156
3-[(N'-ethylcarbamimidoyl)amino]-3-methylbutanamide
CID 106096960
3-(butylcarbamoylamino)-3-methylbutanamide
CID 106096139
2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148301
3-[(4-amino-3-methoxybutanoyl)amino]-3-methylbutanamide
CID 106096401
N-(1-amino-2-methylpropan-2-yl)-2,2,2-trifluoroacetamide
CID 63193771
3-[(2-ethoxyacetyl)amino]-3-methylbutanamide
CID 104579494
3-[3-(ethylamino)propanoylamino]-3-methylbutanamide
CID 106096656
2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide
CID 115432428

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide (CID 106096112) is 2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide is CCC(CC)(CN)C(=O)NC(C)(C)CC(N)=O.
What is the InChIKey of 2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide?
The InChIKey is VJCQHQFEUQGWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-12(6-2,8-13)10(17)15-11(3,4)7-9(14)16/h5-8,13H2,1-4H3,(H2,14,16)(H,15,17).
What are the key properties of 2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide?
2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide has a molecular weight of 243.35 g/mol, XLogP of 0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-ethylbutanamide is sourced from PubChem (CID 106096112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).