(2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine

C13H26N2O — CID 134406202

IUPAC(2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine
SMILESCCC/C(=C\C=C(\C)NC)N(C)CCOC
InChIInChI=1S/C13H26N2O/c1-6-7-13(9-8-12(2)14-3)15(4)10-11-16-5/h8-9,14H,6-7,10-11H2,1-5H3/b12-8-,13-9+
InChIKeySBQVIEMVNZXTIM-QRBCZBMESA-N
MW226.36 g/mol
LogP2.37
Rot. Bonds8

About (2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine

(2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine (PubChem CID 134406202) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine.

Molecular Properties

Compound Name(2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine
PubChem CID134406202
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine
SMILESCCC/C(=C\C=C(\C)NC)N(C)CCOC
InChIInChI=1S/C13H26N2O/c1-6-7-13(9-8-12(2)14-3)15(4)10-11-16-5/h8-9,14H,6-7,10-11H2,1-5H3/b12-8-,13-9+
InChIKeySBQVIEMVNZXTIM-QRBCZBMESA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine?
The IUPAC name of (2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine (CID 134406202) is (2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine.
What is the SMILES notation for (2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine?
The canonical SMILES for (2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine is CCC/C(=C\C=C(\C)NC)N(C)CCOC.
What is the InChIKey of (2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine?
The InChIKey is SBQVIEMVNZXTIM-QRBCZBMESA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-7-13(9-8-12(2)14-3)15(4)10-11-16-5/h8-9,14H,6-7,10-11H2,1-5H3/b12-8-,13-9+.
What are the key properties of (2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine?
(2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine has a molecular weight of 226.36 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-N-(2-methoxyethyl)-2-N,5-N-dimethylocta-2,4-diene-2,5-diamine is sourced from PubChem (CID 134406202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).