(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine

C16H28N2O — CID 145472452

IUPAC(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine
SMILESC=C/C(=C\C=C/C)C(C)C(CN1CCOCC1)NC
InChIInChI=1S/C16H28N2O/c1-5-7-8-15(6-2)14(3)16(17-4)13-18-9-11-19-12-10-18/h5-8,14,16-17H,2,9-13H2,1,3-4H3/b7-5-,15-8+
InChIKeyHQUNSKFQXJHVOZ-VEQUYXNOSA-N
MW264.41 g/mol
LogP2.23
Rot. Bonds7

About (4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine

(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine (PubChem CID 145472452) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine.

Molecular Properties

Compound Name(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine
PubChem CID145472452
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine
SMILESC=C/C(=C\C=C/C)C(C)C(CN1CCOCC1)NC
InChIInChI=1S/C16H28N2O/c1-5-7-8-15(6-2)14(3)16(17-4)13-18-9-11-19-12-10-18/h5-8,14,16-17H,2,9-13H2,1,3-4H3/b7-5-,15-8+
InChIKeyHQUNSKFQXJHVOZ-VEQUYXNOSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Cyclohex-3-enylmethyl-(2-morpholin-4-yl-ethyl)-amine
CID 3152374
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyethyl)piperidin-3-amine
CID 75431555
(2S,3S,5Z,7E)-8-fluoro-1-N-(2-methoxyethyl)-1-N,3-dimethyl-4-methylidenenona-5,7-diene-1,2-diamine
CID 146237710
(2S,5R)-5-methyl-2-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213111
(2S,5R)-5-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213158
(5S)-5-methyl-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]morpholine
CID 68213159
(2S,5S)-5-methyl-2-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
CID 68213204
4-Ethenyl-3-morpholin-4-ylocta-4,6-dien-1-amine
CID 91378889
(3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine
CID 118146494
(Z)-3-methyl-2-[(2R)-2-methylmorpholin-4-yl]hept-4-en-1-amine
CID 134291680
(2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine
CID 134291689
2-[(2E,4E)-3,4-dichlorohexa-2,4-dienyl]-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine;ethene
CID 142172201

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine?
The IUPAC name of (4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine (CID 145472452) is (4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine.
What is the SMILES notation for (4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine?
The canonical SMILES for (4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine is C=C/C(=C\C=C/C)C(C)C(CN1CCOCC1)NC.
What is the InChIKey of (4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine?
The InChIKey is HQUNSKFQXJHVOZ-VEQUYXNOSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-7-8-15(6-2)14(3)16(17-4)13-18-9-11-19-12-10-18/h5-8,14,16-17H,2,9-13H2,1,3-4H3/b7-5-,15-8+.
What are the key properties of (4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine?
(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine has a molecular weight of 264.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine is sourced from PubChem (CID 145472452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).