2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide

C13H28N2O — CID 64568514

IUPAC2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NCC(C)C(C)C
InChIInChI=1S/C13H28N2O/c1-6-13(7-2,9-14)12(16)15-8-11(5)10(3)4/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyAMMUBXNLHQYJQQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.16
Rot. Bonds7

About 2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide

2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide (PubChem CID 64568514) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide
PubChem CID64568514
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide
SMILESCCC(CC)(CN)C(=O)NCC(C)C(C)C
InChIInChI=1S/C13H28N2O/c1-6-13(7-2,9-14)12(16)15-8-11(5)10(3)4/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyAMMUBXNLHQYJQQ-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide
CID 106344659
2-(aminomethyl)-2-ethyl-N-(2-hydroxypentyl)butanamide
CID 115760355
2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759851
2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide
CID 115432428
2-(aminomethyl)-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904797
2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide
CID 115760321
2-(aminomethyl)-N-but-3-en-2-yl-2-ethylbutanamide
CID 115760359
2-cyano-N-(2,3-dimethylbutyl)-2-methylpropanamide
CID 64598100
2-(aminomethyl)-N-(1-cyanopropan-2-yl)-2-ethylbutanamide
CID 115432472
2-(aminomethyl)-N-[2-(diethylamino)-2-oxoethyl]-2-ethylbutanamide
CID 112703701
2-(aminomethyl)-2-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]butanamide
CID 107865773
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide (CID 64568514) is 2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide is CCC(CC)(CN)C(=O)NCC(C)C(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide?
The InChIKey is AMMUBXNLHQYJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-13(7-2,9-14)12(16)15-8-11(5)10(3)4/h10-11H,6-9,14H2,1-5H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide?
2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide has a molecular weight of 228.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,3-dimethylbutyl)-2-ethylbutanamide is sourced from PubChem (CID 64568514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).