ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate

C16H26N2O2 — CID 106511569

IUPACethyl 2-[2-aminoethyl(benzyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CCN)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-8-15(16(19)20-4-2)18(12-11-17)13-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13,17H2,1-2H3
InChIKeyQGDYBJALRCNQSL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds9

About ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate

ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate (PubChem CID 106511569) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-aminoethyl(benzyl)amino]pentanoate
PubChem CID106511569
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nameethyl 2-[2-aminoethyl(benzyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CCN)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-3-8-15(16(19)20-4-2)18(12-11-17)13-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13,17H2,1-2H3
InChIKeyQGDYBJALRCNQSL-UHFFFAOYSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 146168369
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ethyl 2-(dibenzylamino)-5,5-dimethyl-4-oxohexanoate
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ethyl 2-[benzyl(2-hydroxyethyl)amino]propanoate
CID 62116345
2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide
CID 54903541
ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate
CID 101463161
2-N-benzyl-2-N-ethylpentane-1,2-diamine
CID 43126066
diethyl 3-(dibenzylamino)-2,2-dimethylbutanedioate
CID 102464629
ethyl 2-(dibenzylamino)-4,4-difluoro-3-hydroxybutanoate
CID 15673911
2-[benzyl-(2-ethoxy-2-oxoethyl)amino]butanoic acid
CID 115536693
ethyl 2-benzyl-3-hydroxyhexanoate
CID 134853996
ethyl 2-(dibenzylamino)-4-phenylbut-3-ynoate
CID 86069558

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate?
The IUPAC name of ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate (CID 106511569) is ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate?
The canonical SMILES for ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate is CCCC(C(=O)OCC)N(CCN)Cc1ccccc1.
What is the InChIKey of ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate?
The InChIKey is QGDYBJALRCNQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-8-15(16(19)20-4-2)18(12-11-17)13-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13,17H2,1-2H3.
What are the key properties of ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate?
ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate has a molecular weight of 278.40 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-aminoethyl(benzyl)amino]pentanoate is sourced from PubChem (CID 106511569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).