3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide

C13H21N3O — CID 55031850

IUPAC3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide
SMILESCC(CN(CCN)Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H21N3O/c1-11(13(15)17)9-16(8-7-14)10-12-5-3-2-4-6-12/h2-6,11H,7-10,14H2,1H3,(H2,15,17)
InChIKeyZFMQUOGYMQIXDS-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.57
Rot. Bonds7

About 3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide

3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide (PubChem CID 55031850) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide
PubChem CID55031850
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide
SMILESCC(CN(CCN)Cc1ccccc1)C(N)=O
InChIInChI=1S/C13H21N3O/c1-11(13(15)17)9-16(8-7-14)10-12-5-3-2-4-6-12/h2-6,11H,7-10,14H2,1H3,(H2,15,17)
InChIKeyZFMQUOGYMQIXDS-UHFFFAOYSA-N
XLogP0.57
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide 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

3-[2-aminoethyl(benzyl)amino]-2-methylpropanenitrile
CID 106511629
N'-benzyl-N'-(2,2-diphenylethyl)ethane-1,2-diamine
CID 23995073
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
methyl 3-[benzyl-[3-(carbamoylamino)-3-oxopropyl]amino]-2-methylpropanoate
CID 51107101
(2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one
CID 11099804
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
2-[benzyl(ethyl)amino]-3-methylbutanamide
CID 82041322
N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine
CID 63486504
N-(2-aminoethyl)-N-benzyl-4-methylpentanamide
CID 61014679
2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 106511560
3-[benzyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82327569

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide?
The IUPAC name of 3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide (CID 55031850) is 3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide.
What is the SMILES notation for 3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide?
The canonical SMILES for 3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide is CC(CN(CCN)Cc1ccccc1)C(N)=O.
What is the InChIKey of 3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide?
The InChIKey is ZFMQUOGYMQIXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(13(15)17)9-16(8-7-14)10-12-5-3-2-4-6-12/h2-6,11H,7-10,14H2,1H3,(H2,15,17).
What are the key properties of 3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide?
3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide is sourced from PubChem (CID 55031850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).