(E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine

C28H55N — CID 19839202

IUPAC(E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine
SMILESCCCCN(C/C=C/CC(C)(C)CC(C)(C)C)C/C=C/CC(C)(C)CC(C)(C)C
InChIInChI=1S/C28H55N/c1-12-13-20-29(21-16-14-18-27(8,9)23-25(2,3)4)22-17-15-19-28(10,11)24-26(5,6)7/h14-17H,12-13,18-24H2,1-11H3/b16-14+,17-15+
InChIKeyZAYNEGYLQMBZHR-YXLFCKQPSA-N
MW405.76 g/mol
LogP8.91
Rot. Bonds13

About (E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine

(E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine (PubChem CID 19839202) has the molecular formula C28H55N and a molecular weight of 405.76 g/mol. Its IUPAC name is (E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine
PubChem CID19839202
Molecular FormulaC28H55N
Molecular Weight405.76 g/mol
Exact Mass405.43
IUPAC Name(E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine
SMILESCCCCN(C/C=C/CC(C)(C)CC(C)(C)C)C/C=C/CC(C)(C)CC(C)(C)C
InChIInChI=1S/C28H55N/c1-12-13-20-29(21-16-14-18-27(8,9)23-25(2,3)4)22-17-15-19-28(10,11)24-26(5,6)7/h14-17H,12-13,18-24H2,1-11H3/b16-14+,17-15+
InChIKeyZAYNEGYLQMBZHR-YXLFCKQPSA-N
XLogP8.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.76
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine?
The IUPAC name of (E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine (CID 19839202) is (E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine.
What is the SMILES notation for (E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine?
The canonical SMILES for (E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine is CCCCN(C/C=C/CC(C)(C)CC(C)(C)C)C/C=C/CC(C)(C)CC(C)(C)C.
What is the InChIKey of (E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine?
The InChIKey is ZAYNEGYLQMBZHR-YXLFCKQPSA-N. The full InChI is InChI=1S/C28H55N/c1-12-13-20-29(21-16-14-18-27(8,9)23-25(2,3)4)22-17-15-19-28(10,11)24-26(5,6)7/h14-17H,12-13,18-24H2,1-11H3/b16-14+,17-15+.
What are the key properties of (E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine?
(E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine has a molecular weight of 405.76 g/mol, XLogP of 8.91, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine is sourced from PubChem (CID 19839202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).