(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

C25H42N2O — CID 144858279

IUPAC(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
SMILESC=C(C)C(=C\C=C(C)C)/C(NC(C)CN1CCOCC1)=C(/CCCC)C(=C)C
InChIInChI=1S/C25H42N2O/c1-9-10-11-23(20(4)5)25(24(21(6)7)13-12-19(2)3)26-22(8)18-27-14-16-28-17-15-27/h12-13,22,26H,4,6,9-11,14-18H2,1-3,5,7-8H3/b24-13+,25-23+
InChIKeyYYUNUGDSCKPQCN-OBYGDSCDSA-N
MW386.62 g/mol
LogP5.79
Rot. Bonds11

About (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

(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 (PubChem CID 144858279) has the molecular formula C25H42N2O and a molecular weight of 386.62 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID144858279
Molecular FormulaC25H42N2O
Molecular Weight386.62 g/mol
Exact Mass386.33
IUPAC Name(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
SMILESC=C(C)C(=C\C=C(C)C)/C(NC(C)CN1CCOCC1)=C(/CCCC)C(=C)C
InChIInChI=1S/C25H42N2O/c1-9-10-11-23(20(4)5)25(24(21(6)7)13-12-19(2)3)26-22(8)18-27-14-16-28-17-15-27/h12-13,22,26H,4,6,9-11,14-18H2,1-3,5,7-8H3/b24-13+,25-23+
InChIKeyYYUNUGDSCKPQCN-OBYGDSCDSA-N
XLogP5.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(3Z)-3-tert-butyl-6-methyl-N-(2-morpholin-4-ylethyl)hepta-1,3,5-trien-2-amine
CID 89355297
(3E,5Z)-4,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)nona-1,3,5-trien-5-amine
CID 118146494
(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
1-N-ethyl-4-methoxy-2-N-methyl-1-N-[5-(morpholin-4-ylmethyl)cyclohepta-1,3,4,6-tetraen-1-yl]butane-1,2-diamine
CID 138546581
(3Z,5Z)-N,4-dimethyl-2-morpholin-4-ylhepta-3,5-dien-3-amine
CID 142300770
2-N-[2-(diethylamino)-2-methoxyethyl]-5-(4-ethyl-2-methylpiperazin-1-yl)-4-methylcyclohepta-1,3,5-triene-1,2-diamine;ethane
CID 142828340
(3Z)-3-[4-[(1,2-dimethyl-2H-pyridin-5-yl)methyl]piperazin-2-ylidene]-1-methoxy-1-N,1-N,2-N-trimethylbutane-1,2-diamine
CID 145173480
ethane;(4E,6Z)-4-ethenyl-N,3-dimethyl-1-morpholin-4-ylocta-4,6-dien-2-amine
CID 145472451
ethane;(5Z,6Z)-5-ethylidene-N,7-dimethyl-1-morpholin-4-ylnona-6,8-dien-2-amine
CID 145472733
ethane;(5Z,6Z)-5-ethylidene-1-N-(2-methoxyethyl)-1-N,2-N,7-trimethylnona-6,8-diene-1,2-diamine
CID 145473125
ethane;(2Z,4E,6Z)-6-(morpholin-3-ylmethyl)nona-2,4,6,8-tetraen-4-amine
CID 145575361
5-Methyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine
CID 147738193

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(C)C(=C\C=C(C)C)/C(NC(C)CN1CCOCC1)=C(/CCCC)C(=C)C.
What is the InChIKey of (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?
The InChIKey is YYUNUGDSCKPQCN-OBYGDSCDSA-N. The full InChI is InChI=1S/C25H42N2O/c1-9-10-11-23(20(4)5)25(24(21(6)7)13-12-19(2)3)26-22(8)18-27-14-16-28-17-15-27/h12-13,22,26H,4,6,9-11,14-18H2,1-3,5,7-8H3/b24-13+,25-23+.
What are the key properties of (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?
(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 has a molecular weight of 386.62 g/mol, XLogP of 5.79, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 144858279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).