(E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine

C21H43NO — CID 170265770

IUPAC(E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine
SMILESCCOC(C)CC(C)(C)CC(C)(C)C/C=C/CCCCCNC
InChIInChI=1S/C21H43NO/c1-8-23-19(2)17-21(5,6)18-20(3,4)15-13-11-9-10-12-14-16-22-7/h11,13,19,22H,8-10,12,14-18H2,1-7H3/b13-11+
InChIKeyXDMZWRKQWLSUKJ-ACCUITESSA-N
MW325.58 g/mol
LogP5.97
Rot. Bonds14

About (E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine

(E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine (PubChem CID 170265770) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is (E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine.

Molecular Properties

Compound Name(E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine
PubChem CID170265770
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name(E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine
SMILESCCOC(C)CC(C)(C)CC(C)(C)C/C=C/CCCCCNC
InChIInChI=1S/C21H43NO/c1-8-23-19(2)17-21(5,6)18-20(3,4)15-13-11-9-10-12-14-16-22-7/h11,13,19,22H,8-10,12,14-18H2,1-7H3/b13-11+
InChIKeyXDMZWRKQWLSUKJ-ACCUITESSA-N
XLogP5.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine?
The IUPAC name of (E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine (CID 170265770) is (E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine.
What is the SMILES notation for (E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine?
The canonical SMILES for (E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine is CCOC(C)CC(C)(C)CC(C)(C)C/C=C/CCCCCNC.
What is the InChIKey of (E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine?
The InChIKey is XDMZWRKQWLSUKJ-ACCUITESSA-N. The full InChI is InChI=1S/C21H43NO/c1-8-23-19(2)17-21(5,6)18-20(3,4)15-13-11-9-10-12-14-16-22-7/h11,13,19,22H,8-10,12,14-18H2,1-7H3/b13-11+.
What are the key properties of (E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine?
(E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine has a molecular weight of 325.58 g/mol, XLogP of 5.97, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-13-ethoxy-N,9,9,11,11-pentamethyltetradec-6-en-1-amine is sourced from PubChem (CID 170265770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).