ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate

C12H26N2O2 — CID 63028998

IUPACethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)CC)C(=O)OCC
InChIInChI=1S/C12H26N2O2/c1-5-9-13-11(12(15)16-7-3)8-10-14(4)6-2/h11,13H,5-10H2,1-4H3
InChIKeyWNJLCHXWHYMJCO-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.26
Rot. Bonds9

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

ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate (PubChem CID 63028998) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate
PubChem CID63028998
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Nameethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)CC)C(=O)OCC
InChIInChI=1S/C12H26N2O2/c1-5-9-13-11(12(15)16-7-3)8-10-14(4)6-2/h11,13H,5-10H2,1-4H3
InChIKeyWNJLCHXWHYMJCO-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

ethyl 4-[methyl(3-methylbutyl)amino]-2-(propylamino)butanoate
CID 63055201
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
ethyl 2-(propylamino)pentanoate
CID 21021838
methyl 4-[butyl(methyl)amino]-2-(propylamino)butanoate
CID 63027533
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
ethyl 2-[2-(diethylamino)ethylamino]pentanoate
CID 54890434
ethyl 2-(propylamino)butanoate
CID 60795885
ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959677
methyl 4-[methyl(2-methylbutyl)amino]-2-(propylamino)butanoate
CID 63029407
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
methyl 4-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)butanoate
CID 79859194
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate
CID 83041631

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate?
The IUPAC name of ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate (CID 63028998) is ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate.
What is the SMILES notation for ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate?
The canonical SMILES for ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate is CCCNC(CCN(C)CC)C(=O)OCC.
What is the InChIKey of ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate?
The InChIKey is WNJLCHXWHYMJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-9-13-11(12(15)16-7-3)8-10-14(4)6-2/h11,13H,5-10H2,1-4H3.
What are the key properties of ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate?
ethyl 4-[ethyl(methyl)amino]-2-(propylamino)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 ethyl 4-[ethyl(methyl)amino]-2-(propylamino)butanoate is sourced from PubChem (CID 63028998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).