(E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine

C10H21NO3 — CID 58730223

IUPAC(E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine
SMILESCNC(COC)[C@@H](/C=C/COC)OC
InChIInChI=1S/C10H21NO3/c1-11-9(8-13-3)10(14-4)6-5-7-12-2/h5-6,9-11H,7-8H2,1-4H3/b6-5+/t9?,10-/m1/s1
InChIKeyLJNPWCIQTKQTKT-FLCPJYLTSA-N
MW203.28 g/mol
LogP0.44
Rot. Bonds8

About (E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine

(E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine (PubChem CID 58730223) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine.

Molecular Properties

Compound Name(E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine
PubChem CID58730223
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine
SMILESCNC(COC)[C@@H](/C=C/COC)OC
InChIInChI=1S/C10H21NO3/c1-11-9(8-13-3)10(14-4)6-5-7-12-2/h5-6,9-11H,7-8H2,1-4H3/b6-5+/t9?,10-/m1/s1
InChIKeyLJNPWCIQTKQTKT-FLCPJYLTSA-N
XLogP0.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,5-dien-3-amine
CID 145312229
[(1S,4R,5S)-4-methoxy-5-(propylamino)cyclopent-2-en-1-yl] acetate
CID 10536548
(1R,4S,5S)-5-(2-hydroxyethylamino)-4-methoxycyclopent-2-en-1-ol
CID 21722759
(E)-1-methoxy-2-(methylamino)hept-4-en-3-ol
CID 21349590
(E,5R)-5,7-dimethoxy-6-(methylamino)hept-3-enal
CID 58730200
(E,4R)-4,6-dimethoxy-5-N-methylhex-2-ene-1,5-diamine
CID 58730214
[(E,4R)-4,6-dimethoxy-5-(methylamino)hex-2-enyl] methanesulfonate
CID 58730218
(E)-1-methoxy-2-(methylamino)hex-4-en-3-ol
CID 59728818
2-(Methylamino)hept-4-ene-1,3-diol
CID 91346036
6-methoxy-N-methylcyclohexa-2,4-dien-1-amine
CID 91355052
(3-Butoxy-1,2,3,6-tetrahydropyridin-2-yl)methanol
CID 118146686
(Z)-N-[(Z)-pent-3-enyl]-4-propan-2-yloxyhept-5-en-3-amine
CID 126489743

Frequently Asked Questions

What is the IUPAC name of (E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine?
The IUPAC name of (E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine (CID 58730223) is (E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine.
What is the SMILES notation for (E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine?
The canonical SMILES for (E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine is CNC(COC)[C@@H](/C=C/COC)OC.
What is the InChIKey of (E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine?
The InChIKey is LJNPWCIQTKQTKT-FLCPJYLTSA-N. The full InChI is InChI=1S/C10H21NO3/c1-11-9(8-13-3)10(14-4)6-5-7-12-2/h5-6,9-11H,7-8H2,1-4H3/b6-5+/t9?,10-/m1/s1.
What are the key properties of (E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine?
(E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine has a molecular weight of 203.28 g/mol, XLogP of 0.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-1,3,6-trimethoxy-N-methylhex-4-en-2-amine is sourced from PubChem (CID 58730223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).