ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate

C13H28N2O2 — CID 63029828

IUPACethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate
SMILESCCOC(=O)C(CCN(C)C(CC)CC)NC
InChIInChI=1S/C13H28N2O2/c1-6-11(7-2)15(5)10-9-12(14-4)13(16)17-8-3/h11-12,14H,6-10H2,1-5H3
InChIKeyMIRKTEQHMQIURM-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.65
Rot. Bonds9

About ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate

ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate (PubChem CID 63029828) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate
PubChem CID63029828
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nameethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate
SMILESCCOC(=O)C(CCN(C)C(CC)CC)NC
InChIInChI=1S/C13H28N2O2/c1-6-11(7-2)15(5)10-9-12(14-4)13(16)17-8-3/h11-12,14H,6-10H2,1-5H3
InChIKeyMIRKTEQHMQIURM-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate 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

ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63028837
ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate
CID 55143354
ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate
CID 63028830
methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate
CID 63055628
ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate
CID 63029192
2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide
CID 63030006
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
ethyl 5-amino-2-(methylamino)pentanoate
CID 88589084
ethyl (2S)-2-(methylamino)-5-oxohexanoate
CID 118582584
ethyl (2S)-2-(methylamino)-5-oxopentanoate
CID 90464731
ethyl 4-[cyclopropylmethyl(propyl)amino]-2-(methylamino)butanoate
CID 55143357
ethyl 4-(N,3-dimethylanilino)-2-(methylamino)butanoate
CID 55144515

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate?
The IUPAC name of ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate (CID 63029828) is ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate.
What is the SMILES notation for ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate?
The canonical SMILES for ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate is CCOC(=O)C(CCN(C)C(CC)CC)NC.
What is the InChIKey of ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate?
The InChIKey is MIRKTEQHMQIURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-11(7-2)15(5)10-9-12(14-4)13(16)17-8-3/h11-12,14H,6-10H2,1-5H3.
What are the key properties of ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate?
ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate has a molecular weight of 244.38 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate is sourced from PubChem (CID 63029828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).