2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate

C20H40N2O2 — CID 123476155

IUPAC2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate
SMILESCCN(CC)CCOC(=O)C(C)=CCCC(C)CCCC(C)(C)N
InChIInChI=1S/C20H40N2O2/c1-7-22(8-2)15-16-24-19(23)18(4)13-9-11-17(3)12-10-14-20(5,6)21/h13,17H,7-12,14-16,21H2,1-6H3
InChIKeyWGYMYLGWVRVSNE-UHFFFAOYSA-N
MW340.55 g/mol
LogP4.14
Rot. Bonds13

About 2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate

2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate (PubChem CID 123476155) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate
PubChem CID123476155
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC Name2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate
SMILESCCN(CC)CCOC(=O)C(C)=CCCC(C)CCCC(C)(C)N
InChIInChI=1S/C20H40N2O2/c1-7-22(8-2)15-16-24-19(23)18(4)13-9-11-17(3)12-10-14-20(5,6)21/h13,17H,7-12,14-16,21H2,1-6H3
InChIKeyWGYMYLGWVRVSNE-UHFFFAOYSA-N
XLogP4.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate?
The IUPAC name of 2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate (CID 123476155) is 2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate.
What is the SMILES notation for 2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate?
The canonical SMILES for 2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate is CCN(CC)CCOC(=O)C(C)=CCCC(C)CCCC(C)(C)N.
What is the InChIKey of 2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate?
The InChIKey is WGYMYLGWVRVSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2/c1-7-22(8-2)15-16-24-19(23)18(4)13-9-11-17(3)12-10-14-20(5,6)21/h13,17H,7-12,14-16,21H2,1-6H3.
What are the key properties of 2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate?
2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate has a molecular weight of 340.55 g/mol, XLogP of 4.14, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 10-amino-2,6,10-trimethylundec-2-enoate is sourced from PubChem (CID 123476155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).