ethyl 4-(ethylamino)-4-methylpentanoate

C10H21NO2 — CID 89155983

IUPACethyl 4-(ethylamino)-4-methylpentanoate
SMILESCCNC(C)(C)CCC(=O)OCC
InChIInChI=1S/C10H21NO2/c1-5-11-10(3,4)8-7-9(12)13-6-2/h11H,5-8H2,1-4H3
InChIKeySMCQOURSPXEXJI-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds6

About ethyl 4-(ethylamino)-4-methylpentanoate

ethyl 4-(ethylamino)-4-methylpentanoate (PubChem CID 89155983) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl 4-(ethylamino)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 4-(ethylamino)-4-methylpentanoate
PubChem CID89155983
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl 4-(ethylamino)-4-methylpentanoate
SMILESCCNC(C)(C)CCC(=O)OCC
InChIInChI=1S/C10H21NO2/c1-5-11-10(3,4)8-7-9(12)13-6-2/h11H,5-8H2,1-4H3
InChIKeySMCQOURSPXEXJI-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4,4-dihydroxypentanoate
CID 123268886
diethyl 4,4-dimethylnonanedioate
CID 71397840
ethyl 4,4-diethoxypentanoate
CID 523027
ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate
CID 20571657
diethyl 2,2-dibromopentanedioate
CID 54436079
ethyl 4-hydroperoxy-4-hydroxypentanoate
CID 12522765
2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid
CID 114991128
tetraethyl propane-1,1,1,3-tetracarboxylate
CID 90920632
diethyl 4,4,5,5,6,6,7,7-octafluorodecanedioate
CID 15093646
ethyl 5-amino-4,4-difluoro-5-oxopentanoate
CID 86647023
ethyl 4-ethyl-4-phosphanylhexanoate
CID 174578933
diethyl (2R)-2-acetyl-2-aminopentanedioate
CID 139979489

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(ethylamino)-4-methylpentanoate?
The IUPAC name of ethyl 4-(ethylamino)-4-methylpentanoate (CID 89155983) is ethyl 4-(ethylamino)-4-methylpentanoate.
What is the SMILES notation for ethyl 4-(ethylamino)-4-methylpentanoate?
The canonical SMILES for ethyl 4-(ethylamino)-4-methylpentanoate is CCNC(C)(C)CCC(=O)OCC.
What is the InChIKey of ethyl 4-(ethylamino)-4-methylpentanoate?
The InChIKey is SMCQOURSPXEXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-11-10(3,4)8-7-9(12)13-6-2/h11H,5-8H2,1-4H3.
What are the key properties of ethyl 4-(ethylamino)-4-methylpentanoate?
ethyl 4-(ethylamino)-4-methylpentanoate has a molecular weight of 187.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(ethylamino)-4-methylpentanoate is sourced from PubChem (CID 89155983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).