(2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine

C13H22N2O — CID 88905275

IUPAC(2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C(CN1CCOCC1C)\C(N)=C/C
InChIInChI=1S/C13H22N2O/c1-4-6-12(13(14)5-2)9-15-7-8-16-10-11(15)3/h4-6,11H,1,7-10,14H2,2-3H3/b12-6-,13-5+
InChIKeyMATIJAHJWSQLAR-VKQOEWNXSA-N
MW222.33 g/mol
LogP1.68
Rot. Bonds4

About (2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine

(2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine (PubChem CID 88905275) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine
PubChem CID88905275
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine
SMILESC=C/C=C(CN1CCOCC1C)\C(N)=C/C
InChIInChI=1S/C13H22N2O/c1-4-6-12(13(14)5-2)9-15-7-8-16-10-11(15)3/h4-6,11H,1,7-10,14H2,2-3H3/b12-6-,13-5+
InChIKeyMATIJAHJWSQLAR-VKQOEWNXSA-N
XLogP1.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.68
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

4-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)morpholine
CID 294112
4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 166687859
4-[(3Z)-3-methylpenta-1,3-dien-2-yl]morpholine
CID 134830691
4-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-4-yl)morpholine
CID 377675
4-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]morpholine
CID 145213590
Morpholine, 4-(3-methyl-1-propylidene-2-hexenyl)-
CID 5374728
4-[(1Z,2E)-1-ethylidene-3-methyl-2-pentenyl]morpholine
CID 24977664
5-Methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine
CID 19754038
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 70892577
4-(2,6-Dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
CID 70892610
4-[(2R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine
CID 70974382
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclohexa-2,4-dien-1-amine
CID 70974386

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine (CID 88905275) is (2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine is C=C/C=C(CN1CCOCC1C)\C(N)=C/C.
What is the InChIKey of (2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine?
The InChIKey is MATIJAHJWSQLAR-VKQOEWNXSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-6-12(13(14)5-2)9-15-7-8-16-10-11(15)3/h4-6,11H,1,7-10,14H2,2-3H3/b12-6-,13-5+.
What are the key properties of (2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine?
(2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine has a molecular weight of 222.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-[(3-methylmorpholin-4-yl)methyl]hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 88905275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).