ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate

C13H28N2O2 — CID 83049338

IUPACethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)CC(C)(C)CN
InChIInChI=1S/C13H28N2O2/c1-6-8-11(12(16)17-7-2)15(5)10-13(3,4)9-14/h11H,6-10,14H2,1-5H3
InChIKeyJVDVAIPVDBIHOF-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.63
Rot. Bonds8

About ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate

ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate (PubChem CID 83049338) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate
PubChem CID83049338
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nameethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)CC(C)(C)CN
InChIInChI=1S/C13H28N2O2/c1-6-8-11(12(16)17-7-2)15(5)10-13(3,4)9-14/h11H,6-10,14H2,1-5H3
InChIKeyJVDVAIPVDBIHOF-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate 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-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate
CID 82836304
ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate
CID 82840562
ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate
CID 79974219
ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate
CID 83043139
(2R)-N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylpentanamide;hydrochloride
CID 119655370
N',2,2-trimethyl-N'-(2-methylpentyl)propane-1,3-diamine
CID 79652192
ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
CID 83040661
ethyl (2S)-2-(dimethylamino)butanoate
CID 51673671
methyl (2R)-2-[chloro(methyl)amino]pentanoate
CID 137490579
ethyl 2-[1-cyanopropan-2-yl(methyl)amino]pentanoate
CID 83041447
ethyl 2-[methyl(1-methylsulfanylbutan-2-yl)amino]pentanoate
CID 112661499
N-(3-amino-2,2-dimethylpropyl)-N-methyldodecanamide
CID 79646027

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate?
The IUPAC name of ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate (CID 83049338) is ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate.
What is the SMILES notation for ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate?
The canonical SMILES for ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate is CCCC(C(=O)OCC)N(C)CC(C)(C)CN.
What is the InChIKey of ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate?
The InChIKey is JVDVAIPVDBIHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-8-11(12(16)17-7-2)15(5)10-13(3,4)9-14/h11H,6-10,14H2,1-5H3.
What are the key properties of ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate?
ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate has a molecular weight of 244.38 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate is sourced from PubChem (CID 83049338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).