methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate

C16H34N2O2 — CID 64727339

IUPACmethyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCCCN(CC)C(C)CC(C)(NC(C)C)C(=O)OC
InChIInChI=1S/C16H34N2O2/c1-8-10-11-18(9-2)14(5)12-16(6,15(19)20-7)17-13(3)4/h13-14,17H,8-12H2,1-7H3
InChIKeyBBILURDAVNZUEH-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.82
Rot. Bonds10

About methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate

methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate (PubChem CID 64727339) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
PubChem CID64727339
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Namemethyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
SMILESCCCCN(CC)C(C)CC(C)(NC(C)C)C(=O)OC
InChIInChI=1S/C16H34N2O2/c1-8-10-11-18(9-2)14(5)12-16(6,15(19)20-7)17-13(3)4/h13-14,17H,8-12H2,1-7H3
InChIKeyBBILURDAVNZUEH-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[butyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoate
CID 64727139
methyl 2-methyl-4-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanoate
CID 64709198
methyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64711212
4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64798809
4-(diethylamino)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64726179
methyl 2-methyl-4-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)pentanoate
CID 64710020
4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64698958
methyl 4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoate
CID 64709838
methyl 2-methyl-2-(propan-2-ylamino)-4-propan-2-ylsulfanylpentanoate
CID 64709746
4-(dibutylamino)-2-(ethylamino)-2-methylpentanamide
CID 64726423
methyl 4-(2,3-dihydroxypropylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 79670909
methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate
CID 64709610

Frequently Asked Questions

What is the IUPAC name of methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
The IUPAC name of methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate (CID 64727339) is methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate is CCCCN(CC)C(C)CC(C)(NC(C)C)C(=O)OC.
What is the InChIKey of methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
The InChIKey is BBILURDAVNZUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-8-10-11-18(9-2)14(5)12-16(6,15(19)20-7)17-13(3)4/h13-14,17H,8-12H2,1-7H3.
What are the key properties of methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate?
methyl 4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoate has a molecular weight of 286.46 g/mol, XLogP of 2.82, 10 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-methyl-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 64727339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).