(4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine

C26H46N2O6 — CID 144886759

IUPAC(4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine
SMILESC=C(/C=C(\C)C(=C)/C=C\C)C(=C)NCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C26H46N2O6/c1-6-7-23(2)24(3)22-25(4)26(5)28-9-11-30-13-15-32-17-19-34-21-20-33-18-16-31-14-12-29-10-8-27/h6-7,22,28H,2,4-5,8-21,27H2,1,3H3/b7-6-,24-22+
InChIKeyVNYVPAVYCZNNHQ-VKJKBPMPSA-N
MW482.66 g/mol
LogP2.78
Rot. Bonds25

About (4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine

(4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine (PubChem CID 144886759) has the molecular formula C26H46N2O6 and a molecular weight of 482.66 g/mol. Its IUPAC name is (4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine.

Molecular Properties

Compound Name(4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine
PubChem CID144886759
Molecular FormulaC26H46N2O6
Molecular Weight482.66 g/mol
Exact Mass482.34
IUPAC Name(4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine
SMILESC=C(/C=C(\C)C(=C)/C=C\C)C(=C)NCCOCCOCCOCCOCCOCCOCCN
InChIInChI=1S/C26H46N2O6/c1-6-7-23(2)24(3)22-25(4)26(5)28-9-11-30-13-15-32-17-19-34-21-20-33-18-16-31-14-12-29-10-8-27/h6-7,22,28H,2,4-5,8-21,27H2,1,3H3/b7-6-,24-22+
InChIKeyVNYVPAVYCZNNHQ-VKJKBPMPSA-N
XLogP2.78
TPSA93.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.66
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine?
The IUPAC name of (4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine (CID 144886759) is (4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine.
What is the SMILES notation for (4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine?
The canonical SMILES for (4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine is C=C(/C=C(\C)C(=C)/C=C\C)C(=C)NCCOCCOCCOCCOCCOCCOCCN.
What is the InChIKey of (4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine?
The InChIKey is VNYVPAVYCZNNHQ-VKJKBPMPSA-N. The full InChI is InChI=1S/C26H46N2O6/c1-6-7-23(2)24(3)22-25(4)26(5)28-9-11-30-13-15-32-17-19-34-21-20-33-18-16-31-14-12-29-10-8-27/h6-7,22,28H,2,4-5,8-21,27H2,1,3H3/b7-6-,24-22+.
What are the key properties of (4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine?
(4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine has a molecular weight of 482.66 g/mol, XLogP of 2.78, 25 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7Z)-N-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-methyl-3,6-dimethylidenenona-1,4,7-trien-2-amine is sourced from PubChem (CID 144886759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).