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

C18H34N2O — CID 145472451

IUPACethane;(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.CC
InChIInChI=1S/C16H28N2O.C2H6/c1-5-7-8-15(6-2)14(3)16(17-4)13-18-9-11-19-12-10-18;1-2/h5-8,14,16-17H,2,9-13H2,1,3-4H3;1-2H3/b7-5-,15-8+;
InChIKeyLKJPLTSXXXIZPI-NVBXAWORSA-N
MW294.48 g/mol
LogP3.26
Rot. Bonds7

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

ethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine (PubChem CID 145472451) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is ethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine.

Molecular Properties

Compound Nameethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine
PubChem CID145472451
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Nameethane;(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.CC
InChIInChI=1S/C16H28N2O.C2H6/c1-5-7-8-15(6-2)14(3)16(17-4)13-18-9-11-19-12-10-18;1-2/h5-8,14,16-17H,2,9-13H2,1,3-4H3;1-2H3/b7-5-,15-8+;
InChIKeyLKJPLTSXXXIZPI-NVBXAWORSA-N
XLogP3.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(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

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
1-(2-Methoxyethyl)-4-methyl-2-[4-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-3-yl)piperazin-2-yl]piperazine
CID 90736699
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
N'-[1-cyclohexa-1,5-dien-1-yl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 123774978
2-[(2E,4E)-3,4-dichlorohexa-2,4-dienyl]-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine;ethene
CID 142172201
N-[[1-[3-[(2Z)-2-ethenylpenta-2,4-dienyl]oxetan-3-yl]piperidin-4-yl]methyl]ethanamine
CID 142459371
4-(2-cyclohepta-1,3,5-trien-1-ylethyl)morpholine;N-methylethanamine
CID 143063439
(4E,6Z)-4-ethenyl-3-morpholin-4-ylocta-4,6-dien-1-amine
CID 144056576
(4E,6E)-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)-5,7-bis(prop-1-en-2-yl)undeca-2,4,6-trien-6-amine
CID 144858279
ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine
CID 145472733

Frequently Asked Questions

What is the IUPAC name of ethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine?
The IUPAC name of ethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine (CID 145472451) is ethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine.
What is the SMILES notation for ethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine?
The canonical SMILES for ethane;(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.CC.
What is the InChIKey of ethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine?
The InChIKey is LKJPLTSXXXIZPI-NVBXAWORSA-N. The full InChI is InChI=1S/C16H28N2O.C2H6/c1-5-7-8-15(6-2)14(3)16(17-4)13-18-9-11-19-12-10-18;1-2/h5-8,14,16-17H,2,9-13H2,1,3-4H3;1-2H3/b7-5-,15-8+;.
What are the key properties of ethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine?
ethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine has a molecular weight of 294.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine is sourced from PubChem (CID 145472451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).