(3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine

C13H22N2O — CID 155364830

IUPAC(3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine
SMILESC=C(C)C(/C=C\C(=C)N1CCOCC1)CN
InChIInChI=1S/C13H22N2O/c1-11(2)13(10-14)5-4-12(3)15-6-8-16-9-7-15/h4-5,13H,1,3,6-10,14H2,2H3/b5-4-
InChIKeyHZNXBFFXLYLOLH-PLNGDYQASA-N
MW222.33 g/mol
LogP1.54
Rot. Bonds5

About (3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine

(3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine (PubChem CID 155364830) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine
PubChem CID155364830
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine
SMILESC=C(C)C(/C=C\C(=C)N1CCOCC1)CN
InChIInChI=1S/C13H22N2O/c1-11(2)13(10-14)5-4-12(3)15-6-8-16-9-7-15/h4-5,13H,1,3,6-10,14H2,2H3/b5-4-
InChIKeyHZNXBFFXLYLOLH-PLNGDYQASA-N
XLogP1.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine (CID 155364830) is (3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine is C=C(C)C(/C=C\C(=C)N1CCOCC1)CN.
What is the InChIKey of (3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine?
The InChIKey is HZNXBFFXLYLOLH-PLNGDYQASA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)13(10-14)5-4-12(3)15-6-8-16-9-7-15/h4-5,13H,1,3,6-10,14H2,2H3/b5-4-.
What are the key properties of (3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine?
(3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine has a molecular weight of 222.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-morpholin-4-yl-2-prop-1-en-2-ylhexa-3,5-dien-1-amine is sourced from PubChem (CID 155364830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).