(3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine

C15H25NO2 — CID 118146496

IUPAC(3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine
SMILESC=C/C=C(C)/C(NCCOC)=C(C)/C=C(\C)OC
InChIInChI=1S/C15H25NO2/c1-7-8-12(2)15(16-9-10-17-5)13(3)11-14(4)18-6/h7-8,11,16H,1,9-10H2,2-6H3/b12-8+,14-11+,15-13-
InChIKeyAQEKUDULTANUSC-NBSQNRTLSA-N
MW251.37 g/mol
LogP3.18
Rot. Bonds8

About (3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine

(3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine (PubChem CID 118146496) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine.

Molecular Properties

Compound Name(3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine
PubChem CID118146496
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine
SMILESC=C/C=C(C)/C(NCCOC)=C(C)/C=C(\C)OC
InChIInChI=1S/C15H25NO2/c1-7-8-12(2)15(16-9-10-17-5)13(3)11-14(4)18-6/h7-8,11,16H,1,9-10H2,2-6H3/b12-8+,14-11+,15-13-
InChIKeyAQEKUDULTANUSC-NBSQNRTLSA-N
XLogP3.18
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine?
The IUPAC name of (3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine (CID 118146496) is (3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine.
What is the SMILES notation for (3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine?
The canonical SMILES for (3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine is C=C/C=C(C)/C(NCCOC)=C(C)/C=C(\C)OC.
What is the InChIKey of (3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine?
The InChIKey is AQEKUDULTANUSC-NBSQNRTLSA-N. The full InChI is InChI=1S/C15H25NO2/c1-7-8-12(2)15(16-9-10-17-5)13(3)11-14(4)18-6/h7-8,11,16H,1,9-10H2,2-6H3/b12-8+,14-11+,15-13-.
What are the key properties of (3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine?
(3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine has a molecular weight of 251.37 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,7E)-8-methoxy-N-(2-methoxyethyl)-4,6-dimethylnona-1,3,5,7-tetraen-5-amine is sourced from PubChem (CID 118146496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).