methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate

C12H26N2O2 — CID 63028145

IUPACmethyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate
SMILESCCCCN(CC)CCC(NC)C(=O)OC
InChIInChI=1S/C12H26N2O2/c1-5-7-9-14(6-2)10-8-11(13-3)12(15)16-4/h11,13H,5-10H2,1-4H3
InChIKeyZUQYUOKCQQJHFH-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.26
Rot. Bonds9

About methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate

methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate (PubChem CID 63028145) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate
PubChem CID63028145
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Namemethyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate
SMILESCCCCN(CC)CCC(NC)C(=O)OC
InChIInChI=1S/C12H26N2O2/c1-5-7-9-14(6-2)10-8-11(13-3)12(15)16-4/h11,13H,5-10H2,1-4H3
InChIKeyZUQYUOKCQQJHFH-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 63055174
methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate
CID 63029585
ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate
CID 63028830
methyl 2-amino-4-(dibutylamino)butanoate
CID 63028607
methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate
CID 63055628
methyl 2-(2,2-dimethylhydrazinyl)hexanoate
CID 103260976
methyl 4-[butyl(methyl)amino]-2-(propylamino)butanoate
CID 63027533
methyl 2-[3-(diethylamino)propylamino]butanoate
CID 115352179
methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate
CID 63690523
(3S)-7-(diethylamino)-3-(methylamino)heptan-2-one
CID 170287078
4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63028616
methyl 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoate
CID 63053198

Frequently Asked Questions

What is the IUPAC name of methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate?
The IUPAC name of methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate (CID 63028145) is methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate.
What is the SMILES notation for methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate?
The canonical SMILES for methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate is CCCCN(CC)CCC(NC)C(=O)OC.
What is the InChIKey of methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate?
The InChIKey is ZUQYUOKCQQJHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-7-9-14(6-2)10-8-11(13-3)12(15)16-4/h11,13H,5-10H2,1-4H3.
What are the key properties of methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate?
methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate has a molecular weight of 230.35 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate is sourced from PubChem (CID 63028145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).