(2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine

C13H22N2O — CID 143114266

IUPAC(2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine
SMILESC=C/C(=C\C=C(/C)CNC)N1CCOCC1
InChIInChI=1S/C13H22N2O/c1-4-13(6-5-12(2)11-14-3)15-7-9-16-10-8-15/h4-6,14H,1,7-11H2,2-3H3/b12-5+,13-6+
InChIKeyJGHFGSKPOPWFBX-BYDSPXIWSA-N
MW222.33 g/mol
LogP1.55
Rot. Bonds5

About (2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine

(2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine (PubChem CID 143114266) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine
PubChem CID143114266
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine
SMILESC=C/C(=C\C=C(/C)CNC)N1CCOCC1
InChIInChI=1S/C13H22N2O/c1-4-13(6-5-12(2)11-14-3)15-7-9-16-10-8-15/h4-6,14H,1,7-11H2,2-3H3/b12-5+,13-6+
InChIKeyJGHFGSKPOPWFBX-BYDSPXIWSA-N
XLogP1.55
TPSA24.50 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 ≤ 51.55
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

ethane;N-methyl-2-morpholin-4-ylprop-2-en-1-amine
CID 177002503
(1E,3E)-N-[(methylideneamino)methyl]-4-morpholin-4-ylhexa-1,3,5-trien-1-amine
CID 171624644
4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 142175589
1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one
CID 109011993
(Z)-2-morpholin-4-ylbut-2-enal
CID 11367132
2-(methylamino)acetic acid;morpholine-4-carboxamide
CID 69170925
4-[(3E,5Z)-7-bromohepta-1,3,5-trien-4-yl]morpholine
CID 138711415
4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]morpholine
CID 155748079
(2Z)-2-methyl-1-morpholin-4-ylpenta-2,4-dien-1-one
CID 24899376
4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide
CID 113266090
1-[(3E,5E)-6-aminohepta-1,3,5-trien-3-yl]piperidin-4-one;ethane
CID 142109087
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine (CID 143114266) is (2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine is C=C/C(=C\C=C(/C)CNC)N1CCOCC1.
What is the InChIKey of (2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine?
The InChIKey is JGHFGSKPOPWFBX-BYDSPXIWSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-13(6-5-12(2)11-14-3)15-7-9-16-10-8-15/h4-6,14H,1,7-11H2,2-3H3/b12-5+,13-6+.
What are the key properties of (2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine?
(2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine has a molecular weight of 222.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,2-dimethyl-5-morpholin-4-ylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 143114266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).