ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine

C19H36N2O — CID 145472733

IUPACethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine
SMILESC=C/C(C)=C\C(=C/C)CCC(CN1CCOCC1)NC.CC
InChIInChI=1S/C17H30N2O.C2H6/c1-5-15(3)13-16(6-2)7-8-17(18-4)14-19-9-11-20-12-10-19;1-2/h5-6,13,17-18H,1,7-12,14H2,2-4H3;1-2H3/b15-13-,16-6-;
InChIKeyWGKGFIZHTHLKEY-CMTMBDOFSA-N
MW308.51 g/mol
LogP3.79
Rot. Bonds8

About ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine

ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine (PubChem CID 145472733) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine.

Molecular Properties

Compound Nameethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine
PubChem CID145472733
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Nameethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine
SMILESC=C/C(C)=C\C(=C/C)CCC(CN1CCOCC1)NC.CC
InChIInChI=1S/C17H30N2O.C2H6/c1-5-15(3)13-16(6-2)7-8-17(18-4)14-19-9-11-20-12-10-19;1-2/h5-6,13,17-18H,1,7-12,14H2,2-4H3;1-2H3/b15-13-,16-6-;
InChIKeyWGKGFIZHTHLKEY-CMTMBDOFSA-N
XLogP3.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(2-methoxyethyl)-4-methylcyclohex-4-ene-1,2-diamine
CID 68230498
7-methyl-N-(3-morpholin-4-ylbutyl)octa-2,6-dien-1-amine
CID 90116030
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
N-(2-methoxyethyl)-N,5-dimethyl-6-piperidin-4-ylidene-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 123796658
(4Z,6Z)-4-ethenyl-1-piperidin-1-yl-2-(propan-2-ylamino)octa-4,6-dien-1-ol
CID 126517203
(2S,4Z,6Z)-1-N-ethyl-1-N-(2-methoxyethyl)-2-N-methyl-3-methylideneocta-4,6-diene-1,2-diamine
CID 132122159
(2R)-2-(3-methylidenecyclohexa-1,5-dien-1-yl)-2-morpholin-4-ylethanamine
CID 134291689
(4E,6E,7E,9E)-7-ethyl-9-N,4-dimethyl-6-[(Z)-2-morpholin-4-ylbut-2-enylidene]undeca-4,7,9-triene-1,9-diamine
CID 134381120
N-[1-cyclohexa-1,3-dien-1-yl-2-(4-methylpiperazin-1-yl)ethyl]oxiran-2-amine
CID 141809180
(3Z,5Z)-N,4-dimethyl-2-morpholin-4-ylhepta-3,5-dien-3-amine
CID 142300770

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine?
The IUPAC name of ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine (CID 145472733) is ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine.
What is the SMILES notation for ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine?
The canonical SMILES for ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine is C=C/C(C)=C\C(=C/C)CCC(CN1CCOCC1)NC.CC.
What is the InChIKey of ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine?
The InChIKey is WGKGFIZHTHLKEY-CMTMBDOFSA-N. The full InChI is InChI=1S/C17H30N2O.C2H6/c1-5-15(3)13-16(6-2)7-8-17(18-4)14-19-9-11-20-12-10-19;1-2/h5-6,13,17-18H,1,7-12,14H2,2-4H3;1-2H3/b15-13-,16-6-;.
What are the key properties of ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine?
ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine has a molecular weight of 308.51 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine is sourced from PubChem (CID 145472733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).