(1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine

C16H23NO — CID 142041463

IUPAC(1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/C)C(=C\N)/COC(/C=C\C)=C/C
InChIInChI=1S/C16H23NO/c1-5-9-14(10-6-2)15(12-17)13-18-16(8-4)11-7-3/h5-12H,1,13,17H2,2-4H3/b10-6-,11-7-,14-9+,15-12-,16-8+
InChIKeyZAJCJHIVFPLZNQ-LJFWOADMSA-N
MW245.37 g/mol
LogP4.01
Rot. Bonds7

About (1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine

(1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine (PubChem CID 142041463) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
PubChem CID142041463
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/C)C(=C\N)/COC(/C=C\C)=C/C
InChIInChI=1S/C16H23NO/c1-5-9-14(10-6-2)15(12-17)13-18-16(8-4)11-7-3/h5-12H,1,13,17H2,2-4H3/b10-6-,11-7-,14-9+,15-12-,16-8+
InChIKeyZAJCJHIVFPLZNQ-LJFWOADMSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z)-2-methyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine
CID 88576528
(3E,5E)-4-[(Z)-2-methoxyethenyl]-5-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 130219587
methane;(3E,5E)-4-[(Z)-prop-1-enyl]-5-prop-2-enylidenenona-1,3,8-triene
CID 142416242
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
CID 145151868
(3Z,5Z,6Z)-4-[(Z)-prop-1-enyl]-5-propylidenenona-1,3,6-triene
CID 142312550
methyl 2-prop-1-enylpenta-2,4-dienoate
CID 123933985
(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene
CID 143508019
ethane;ethyl (4E)-3-oxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienoate
CID 143439459
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide
CID 143851447
(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine
CID 134569652

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine (CID 142041463) is (1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine is C=C/C=C(\C=C/C)C(=C\N)/COC(/C=C\C)=C/C.
What is the InChIKey of (1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine?
The InChIKey is ZAJCJHIVFPLZNQ-LJFWOADMSA-N. The full InChI is InChI=1S/C16H23NO/c1-5-9-14(10-6-2)15(12-17)13-18-16(8-4)11-7-3/h5-12H,1,13,17H2,2-4H3/b10-6-,11-7-,14-9+,15-12-,16-8+.
What are the key properties of (1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine?
(1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine has a molecular weight of 245.37 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-2-[[(2E,4Z)-hexa-2,4-dien-3-yl]oxymethyl]-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 142041463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).