(2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine

C19H29NO — CID 89151483

IUPAC(2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine
SMILESC=C/C=C\CCO/C(C=C)=C/C(C)=C\C/C(=C\CC)CN
InChIInChI=1S/C19H29NO/c1-5-8-9-10-14-21-19(7-3)15-17(4)12-13-18(16-20)11-6-2/h5,7-9,11-12,15H,1,3,6,10,13-14,16,20H2,2,4H3/b9-8-,17-12-,18-11+,19-15+
InChIKeyISRMAMPMZWMNOA-LILLGLJHSA-N
MW287.45 g/mol
LogP4.84
Rot. Bonds11

About (2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine

(2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine (PubChem CID 89151483) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine
PubChem CID89151483
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine
SMILESC=C/C=C\CCO/C(C=C)=C/C(C)=C\C/C(=C\CC)CN
InChIInChI=1S/C19H29NO/c1-5-8-9-10-14-21-19(7-3)15-17(4)12-13-18(16-20)11-6-2/h5,7-9,11-12,15H,1,3,6,10,13-14,16,20H2,2,4H3/b9-8-,17-12-,18-11+,19-15+
InChIKeyISRMAMPMZWMNOA-LILLGLJHSA-N
XLogP4.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine?
The IUPAC name of (2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine (CID 89151483) is (2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine.
What is the SMILES notation for (2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine?
The canonical SMILES for (2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine is C=C/C=C\CCO/C(C=C)=C/C(C)=C\C/C(=C\CC)CN.
What is the InChIKey of (2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine?
The InChIKey is ISRMAMPMZWMNOA-LILLGLJHSA-N. The full InChI is InChI=1S/C19H29NO/c1-5-8-9-10-14-21-19(7-3)15-17(4)12-13-18(16-20)11-6-2/h5,7-9,11-12,15H,1,3,6,10,13-14,16,20H2,2,4H3/b9-8-,17-12-,18-11+,19-15+.
What are the key properties of (2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine?
(2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-7-[(3Z)-hexa-3,5-dienoxy]-5-methyl-2-propylidenenona-4,6,8-trien-1-amine is sourced from PubChem (CID 89151483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).