ethyl 3-(ethylamino)heptanoate

C11H23NO2 — CID 65233712

IUPACethyl 3-(ethylamino)heptanoate
SMILESCCCCC(CC(=O)OCC)NCC
InChIInChI=1S/C11H23NO2/c1-4-7-8-10(12-5-2)9-11(13)14-6-3/h10,12H,4-9H2,1-3H3
InChIKeyNAUIADSJMOOMCB-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds8

About ethyl 3-(ethylamino)heptanoate

ethyl 3-(ethylamino)heptanoate (PubChem CID 65233712) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethyl 3-(ethylamino)heptanoate.

Molecular Properties

Compound Nameethyl 3-(ethylamino)heptanoate
PubChem CID65233712
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethyl 3-(ethylamino)heptanoate
SMILESCCCCC(CC(=O)OCC)NCC
InChIInChI=1S/C11H23NO2/c1-4-7-8-10(12-5-2)9-11(13)14-6-3/h10,12H,4-9H2,1-3H3
InChIKeyNAUIADSJMOOMCB-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-hydroxybutanedioate;diethyl propanedioate
CID 174923020
ethyl 3-butylnonanoate
CID 131636821
N-ethyldecan-5-amine
CID 79405026
ethyl 3-(1-hydroxyethyl)heptanoate
CID 154713788
ethyl 3-(trifluoromethyl)heptanoate
CID 19890429
ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate
CID 82351703
ethyl 3-(ethylamino)-4-(4-ethylphenyl)butanoate
CID 82351733
butane;diethyl propanedioate
CID 87110467
ethyl (3S)-3-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]dodecanoate
CID 11337204
butyl 3-oxobutanoate;ethyl 3-oxobutanoate
CID 146405980
ethyl 3,3-dibutoxypropanoate
CID 14297450
ethyl 4-acetyl-3-oxooctanoate
CID 174725021

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethylamino)heptanoate?
The IUPAC name of ethyl 3-(ethylamino)heptanoate (CID 65233712) is ethyl 3-(ethylamino)heptanoate.
What is the SMILES notation for ethyl 3-(ethylamino)heptanoate?
The canonical SMILES for ethyl 3-(ethylamino)heptanoate is CCCCC(CC(=O)OCC)NCC.
What is the InChIKey of ethyl 3-(ethylamino)heptanoate?
The InChIKey is NAUIADSJMOOMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-7-8-10(12-5-2)9-11(13)14-6-3/h10,12H,4-9H2,1-3H3.
What are the key properties of ethyl 3-(ethylamino)heptanoate?
ethyl 3-(ethylamino)heptanoate has a molecular weight of 201.31 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethylamino)heptanoate is sourced from PubChem (CID 65233712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).