(2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine

C11H18N2O — CID 129036624

IUPAC(2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C/C)N1CCOCC1
InChIInChI=1S/C11H18N2O/c1-3-11(12)5-4-10(2)13-6-8-14-9-7-13/h3-5H,2,6-9,12H2,1H3/b5-4-,11-3+
InChIKeyLYVDNYJSOSYMRQ-NEPXUXLISA-N
MW194.28 g/mol
LogP1.25
Rot. Bonds3

About (2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine

(2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine (PubChem CID 129036624) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine
PubChem CID129036624
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C/C)N1CCOCC1
InChIInChI=1S/C11H18N2O/c1-3-11(12)5-4-10(2)13-6-8-14-9-7-13/h3-5H,2,6-9,12H2,1H3/b5-4-,11-3+
InChIKeyLYVDNYJSOSYMRQ-NEPXUXLISA-N
XLogP1.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,6-difluorohexa-2,4-dien-2-amine
CID 89073873
(3E,5E)-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,7-difluorohepta-1,3,5-trien-3-amine
CID 89154042
(3E,5Z)-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4,6-difluorohepta-1,3,5-trien-2-amine
CID 89214778
(2E,4E)-1-(2,6-dimethylmorpholin-4-yl)-5-fluorohepta-2,4,6-trien-2-amine
CID 89215137
(2E,4Z)-1-fluoro-6-morpholin-4-ylhexa-2,4-dien-3-amine
CID 89774520
(3E)-4-fluoro-5-morpholin-4-ylhexa-1,3,5-trien-2-amine
CID 142898847
(2E,4E)-5-fluoro-6-morpholin-4-ylhepta-2,4,6-trien-3-amine
CID 143062168
Cisplatin-procaine
CID 129717847
(2E,4Z)-3,5-difluoro-4-morpholin-4-ylhepta-2,4,6-trien-1-amine
CID 142263642
4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine
CID 12856185
4-[(3E)-penta-1,3-dien-3-yl]morpholine
CID 22149528
morpholine;1-prop-2-enyl-2H-pyridine
CID 70522385

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine (CID 129036624) is (2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine is C=C(/C=C\C(N)=C/C)N1CCOCC1.
What is the InChIKey of (2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine?
The InChIKey is LYVDNYJSOSYMRQ-NEPXUXLISA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-11(12)5-4-10(2)13-6-8-14-9-7-13/h3-5H,2,6-9,12H2,1H3/b5-4-,11-3+.
What are the key properties of (2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine?
(2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine has a molecular weight of 194.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-morpholin-4-ylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 129036624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).