ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate

C13H27NO2 — CID 61001690

IUPACethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)C)NCC(C)C
InChIInChI=1S/C13H27NO2/c1-7-16-12(15)13(6,8-10(2)3)14-9-11(4)5/h10-11,14H,7-9H2,1-6H3
InChIKeyBAYXDUSDRVSLRW-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.60
Rot. Bonds7

About ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate

ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate (PubChem CID 61001690) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate
PubChem CID61001690
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Nameethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)C)NCC(C)C
InChIInChI=1S/C13H27NO2/c1-7-16-12(15)13(6,8-10(2)3)14-9-11(4)5/h10-11,14H,7-9H2,1-6H3
InChIKeyBAYXDUSDRVSLRW-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2,4-dimethyl-2-(2-methylpropylamino)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 2,5,5-trimethyl-2-(2-methylpropylamino)hexanoate
CID 114280004
ethyl 2-methyl-2-(2-methylpropylamino)hex-5-enoate
CID 104656044
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
ethyl 2-(ethylamino)-2-methyl-4-[2-methylpropyl(propan-2-yl)amino]pentanoate
CID 64710888
ethyl 2-methyl-4-(2-methylpropylsulfanyl)-2-(propylamino)pentanoate
CID 64710603
ethyl 2-methyl-4-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanoate
CID 64726233
ethyl 2-methyl-4-(3-methylbutylsulfanyl)-2-(propylamino)pentanoate
CID 107756340
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
4,4-dimethoxy-2-methyl-2-(2-methylpropylamino)butanamide
CID 66178652
ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
CID 64727597
ethyl 2-(ethylamino)-2-methyl-4-pentoxypentanoate
CID 64719572
ethyl 2-methyl-2-(methylamino)-4-(2-methylpropylsulfanyl)pentanoate
CID 64712158

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate?
The IUPAC name of ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate (CID 61001690) is ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate.
What is the SMILES notation for ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate?
The canonical SMILES for ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate is CCOC(=O)C(C)(CC(C)C)NCC(C)C.
What is the InChIKey of ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate?
The InChIKey is BAYXDUSDRVSLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-7-16-12(15)13(6,8-10(2)3)14-9-11(4)5/h10-11,14H,7-9H2,1-6H3.
What are the key properties of ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate?
ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate has a molecular weight of 229.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-2-(2-methylpropylamino)pentanoate is sourced from PubChem (CID 61001690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).