(3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine

C12H19NO — CID 155283556

IUPAC(3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine
SMILESC=C/C(=C\C=C(/C=C)NCC)COC
InChIInChI=1S/C12H19NO/c1-5-11(10-14-4)8-9-12(6-2)13-7-3/h5-6,8-9,13H,1-2,7,10H2,3-4H3/b11-8+,12-9+
InChIKeyPBDRGYFKWJEXBL-HZOWPXDZSA-N
MW193.29 g/mol
LogP2.42
Rot. Bonds7

About (3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine

(3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine (PubChem CID 155283556) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine.

Molecular Properties

Compound Name(3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine
PubChem CID155283556
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine
SMILESC=C/C(=C\C=C(/C=C)NCC)COC
InChIInChI=1S/C12H19NO/c1-5-11(10-14-4)8-9-12(6-2)13-7-3/h5-6,8-9,13H,1-2,7,10H2,3-4H3/b11-8+,12-9+
InChIKeyPBDRGYFKWJEXBL-HZOWPXDZSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine?
The IUPAC name of (3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine (CID 155283556) is (3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine.
What is the SMILES notation for (3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine?
The canonical SMILES for (3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine is C=C/C(=C\C=C(/C=C)NCC)COC.
What is the InChIKey of (3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine?
The InChIKey is PBDRGYFKWJEXBL-HZOWPXDZSA-N. The full InChI is InChI=1S/C12H19NO/c1-5-11(10-14-4)8-9-12(6-2)13-7-3/h5-6,8-9,13H,1-2,7,10H2,3-4H3/b11-8+,12-9+.
What are the key properties of (3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine?
(3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine has a molecular weight of 193.29 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-N-ethyl-6-(methoxymethyl)octa-1,3,5,7-tetraen-3-amine is sourced from PubChem (CID 155283556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).