(2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane

C11H21NO — CID 143062810

IUPAC(2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane
SMILESC=C/C=C(\C=C)[C@@H](C)NC.COC
InChIInChI=1S/C9H15N.C2H6O/c1-5-7-9(6-2)8(3)10-4;1-3-2/h5-8,10H,1-2H2,3-4H3;1-2H3/b9-7+;/t8-;/m1./s1
InChIKeyDYXZHYZTWFKDQM-YBWOMNAPSA-N
MW183.29 g/mol
LogP2.16
Rot. Bonds4

About (2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane

(2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane (PubChem CID 143062810) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane.

Molecular Properties

Compound Name(2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane
PubChem CID143062810
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane
SMILESC=C/C=C(\C=C)[C@@H](C)NC.COC
InChIInChI=1S/C9H15N.C2H6O/c1-5-7-9(6-2)8(3)10-4;1-3-2/h5-8,10H,1-2H2,3-4H3;1-2H3/b9-7+;/t8-;/m1./s1
InChIKeyDYXZHYZTWFKDQM-YBWOMNAPSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.16
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 (2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane?
The IUPAC name of (2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane (CID 143062810) is (2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane.
What is the SMILES notation for (2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane?
The canonical SMILES for (2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane is C=C/C=C(\C=C)[C@@H](C)NC.COC.
What is the InChIKey of (2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane?
The InChIKey is DYXZHYZTWFKDQM-YBWOMNAPSA-N. The full InChI is InChI=1S/C9H15N.C2H6O/c1-5-7-9(6-2)8(3)10-4;1-3-2/h5-8,10H,1-2H2,3-4H3;1-2H3/b9-7+;/t8-;/m1./s1.
What are the key properties of (2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane?
(2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane has a molecular weight of 183.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E)-3-ethenyl-N-methylhexa-3,5-dien-2-amine;methoxymethane is sourced from PubChem (CID 143062810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).