(3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine

C11H20N2O — CID 134340721

IUPAC(3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine
SMILESC=C(/C(N)=C(\C)CC)N1CCOCC1
InChIInChI=1S/C11H20N2O/c1-4-9(2)11(12)10(3)13-5-7-14-8-6-13/h3-8,12H2,1-2H3/b11-9-
InChIKeyGWRPKLWFOZWFMV-LUAWRHEFSA-N
MW196.29 g/mol
LogP1.48
Rot. Bonds3

About (3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine

(3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine (PubChem CID 134340721) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine
PubChem CID134340721
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine
SMILESC=C(/C(N)=C(\C)CC)N1CCOCC1
InChIInChI=1S/C11H20N2O/c1-4-9(2)11(12)10(3)13-5-7-14-8-6-13/h3-8,12H2,1-2H3/b11-9-
InChIKeyGWRPKLWFOZWFMV-LUAWRHEFSA-N
XLogP1.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine?
The IUPAC name of (3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine (CID 134340721) is (3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine?
The canonical SMILES for (3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine is C=C(/C(N)=C(\C)CC)N1CCOCC1.
What is the InChIKey of (3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine?
The InChIKey is GWRPKLWFOZWFMV-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-9(2)11(12)10(3)13-5-7-14-8-6-13/h3-8,12H2,1-2H3/b11-9-.
What are the key properties of (3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine?
(3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine has a molecular weight of 196.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methyl-2-morpholin-4-ylhexa-1,3-dien-3-amine is sourced from PubChem (CID 134340721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).