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

C13H28N2O2 — CID 63029941

IUPACethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)C(C)C)C(=O)OCC
InChIInChI=1S/C13H28N2O2/c1-6-9-14-12(13(16)17-7-2)8-10-15(5)11(3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyKOJAYRHBRBEUOD-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.65
Rot. Bonds9

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

ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate (PubChem CID 63029941) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
PubChem CID63029941
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nameethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
SMILESCCCNC(CCN(C)C(C)C)C(=O)OCC
InChIInChI=1S/C13H28N2O2/c1-6-9-14-12(13(16)17-7-2)8-10-15(5)11(3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyKOJAYRHBRBEUOD-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.65
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-[ethyl(methyl)amino]-2-(propylamino)butanoate
CID 63028998
ethyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959677
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 2-(propylamino)butanoate
CID 60795885
methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanoate
CID 55143734
methyl 4-(dimethylamino)-2-(propylamino)butanoate
CID 63027229
4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide
CID 63054736
ethyl 4-(dimethylamino)-2-(ethylamino)butanoate
CID 63028800
ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate
CID 63029192
methyl 4-[2-methoxyethyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 82959551
ethyl 2-[2-(diethylamino)ethylamino]pentanoate
CID 54890434

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate?
The IUPAC name of ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate (CID 63029941) is ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate.
What is the SMILES notation for ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate?
The canonical SMILES for ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate is CCCNC(CCN(C)C(C)C)C(=O)OCC.
What is the InChIKey of ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate?
The InChIKey is KOJAYRHBRBEUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-6-9-14-12(13(16)17-7-2)8-10-15(5)11(3)4/h11-12,14H,6-10H2,1-5H3.
What are the key properties of ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate?
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate has a molecular weight of 244.38 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate is sourced from PubChem (CID 63029941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).