ethyl 2-[bis(pent-1-enyl)amino]acetate

C14H25NO2 — CID 87535579

IUPACethyl 2-[bis(pent-1-enyl)amino]acetate
SMILESCCCC=CN(C=CCCC)CC(=O)OCC
InChIInChI=1S/C14H25NO2/c1-4-7-9-11-15(12-10-8-5-2)13-14(16)17-6-3/h9-12H,4-8,13H2,1-3H3
InChIKeyANJMQJKDXZXGTN-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.48
Rot. Bonds9

About ethyl 2-[bis(pent-1-enyl)amino]acetate

ethyl 2-[bis(pent-1-enyl)amino]acetate (PubChem CID 87535579) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethyl 2-[bis(pent-1-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[bis(pent-1-enyl)amino]acetate
PubChem CID87535579
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethyl 2-[bis(pent-1-enyl)amino]acetate
SMILESCCCC=CN(C=CCCC)CC(=O)OCC
InChIInChI=1S/C14H25NO2/c1-4-7-9-11-15(12-10-8-5-2)13-14(16)17-6-3/h9-12H,4-8,13H2,1-3H3
InChIKeyANJMQJKDXZXGTN-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis(pent-1-enyl)amino]acetate?
The IUPAC name of ethyl 2-[bis(pent-1-enyl)amino]acetate (CID 87535579) is ethyl 2-[bis(pent-1-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[bis(pent-1-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[bis(pent-1-enyl)amino]acetate is CCCC=CN(C=CCCC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[bis(pent-1-enyl)amino]acetate?
The InChIKey is ANJMQJKDXZXGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-7-9-11-15(12-10-8-5-2)13-14(16)17-6-3/h9-12H,4-8,13H2,1-3H3.
What are the key properties of ethyl 2-[bis(pent-1-enyl)amino]acetate?
ethyl 2-[bis(pent-1-enyl)amino]acetate has a molecular weight of 239.36 g/mol, XLogP of 3.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(pent-1-enyl)amino]acetate is sourced from PubChem (CID 87535579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).