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

C11H20N2O — CID 143922380

IUPAC(1E,3Z)-3-methyl-1-morpholin-4-ylhexa-1,3-dien-1-amine
SMILESCC/C=C(C)\C=C(/N)N1CCOCC1
InChIInChI=1S/C11H20N2O/c1-3-4-10(2)9-11(12)13-5-7-14-8-6-13/h4,9H,3,5-8,12H2,1-2H3/b10-4-,11-9+
InChIKeyBODYZJDYFRKQKM-QYPUIOKRSA-N
MW196.29 g/mol
LogP1.48
Rot. Bonds3

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

(1E,3Z)-3-methyl-1-morpholin-4-ylhexa-1,3-dien-1-amine (PubChem CID 143922380) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (1E,3Z)-3-methyl-1-morpholin-4-ylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-3-methyl-1-morpholin-4-ylhexa-1,3-dien-1-amine
PubChem CID143922380
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(1E,3Z)-3-methyl-1-morpholin-4-ylhexa-1,3-dien-1-amine
SMILESCC/C=C(C)\C=C(/N)N1CCOCC1
InChIInChI=1S/C11H20N2O/c1-3-4-10(2)9-11(12)13-5-7-14-8-6-13/h4,9H,3,5-8,12H2,1-2H3/b10-4-,11-9+
InChIKeyBODYZJDYFRKQKM-QYPUIOKRSA-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 (1E,3Z)-3-methyl-1-morpholin-4-ylhexa-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-3-methyl-1-morpholin-4-ylhexa-1,3-dien-1-amine (CID 143922380) is (1E,3Z)-3-methyl-1-morpholin-4-ylhexa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-3-methyl-1-morpholin-4-ylhexa-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-3-methyl-1-morpholin-4-ylhexa-1,3-dien-1-amine is CC/C=C(C)\C=C(/N)N1CCOCC1.
What is the InChIKey of (1E,3Z)-3-methyl-1-morpholin-4-ylhexa-1,3-dien-1-amine?
The InChIKey is BODYZJDYFRKQKM-QYPUIOKRSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-4-10(2)9-11(12)13-5-7-14-8-6-13/h4,9H,3,5-8,12H2,1-2H3/b10-4-,11-9+.
What are the key properties of (1E,3Z)-3-methyl-1-morpholin-4-ylhexa-1,3-dien-1-amine?
(1E,3Z)-3-methyl-1-morpholin-4-ylhexa-1,3-dien-1-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 (1E,3Z)-3-methyl-1-morpholin-4-ylhexa-1,3-dien-1-amine is sourced from PubChem (CID 143922380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).