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

C14H30N2O2 — CID 55143354

IUPACethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCN(C)C(C)C(C)(C)C)NC
InChIInChI=1S/C14H30N2O2/c1-8-18-13(17)12(15-6)9-10-16(7)11(2)14(3,4)5/h11-12,15H,8-10H2,1-7H3
InChIKeyNPCIAWPWQYXUJB-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.89
Rot. Bonds7

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

ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate (PubChem CID 55143354) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate
PubChem CID55143354
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nameethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCN(C)C(C)C(C)(C)C)NC
InChIInChI=1S/C14H30N2O2/c1-8-18-13(17)12(15-6)9-10-16(7)11(2)14(3,4)5/h11-12,15H,8-10H2,1-7H3
InChIKeyNPCIAWPWQYXUJB-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63029828
methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate
CID 55143734
methyl 2-(methylamino)-4-[methyl(pentan-2-yl)amino]butanoate
CID 63055628
ethyl 4-[ethyl(propyl)amino]-2-(methylamino)butanoate
CID 63028830
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate
CID 63029192
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
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate (CID 55143354) is ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate is CCOC(=O)C(CCN(C)C(C)C(C)(C)C)NC.
What is the InChIKey of ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate?
The InChIKey is NPCIAWPWQYXUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-8-18-13(17)12(15-6)9-10-16(7)11(2)14(3,4)5/h11-12,15H,8-10H2,1-7H3.
What are the key properties of ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate?
ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate has a molecular weight of 258.41 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate is sourced from PubChem (CID 55143354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).