N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine

C29H47N5 — CID 143342947

IUPACN,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine
SMILESC=C.C=C/N=c1\nc(C=C)cc(CC(=C)C)n1C.C=CC/C(C)=C(/C=C(\CC)CNC)N(C)C
InChIInChI=1S/C14H26N2.C13H17N3.C2H4/c1-7-9-12(3)14(16(5)6)10-13(8-2)11-15-4;1-6-11-9-12(8-10(3)4)16(5)13(15-11)14-7-2;1-2/h7,10,15H,1,8-9,11H2,2-6H3;6-7,9H,1-3,8H2,4-5H3;1-2H2/b13-10+,14-12-;14-13+;
InChIKeyNJSNPYMRFQDEPT-FYAVYUEGSA-N
MW465.73 g/mol
LogP5.98
Rot. Bonds11

About N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine

N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine (PubChem CID 143342947) has the molecular formula C29H47N5 and a molecular weight of 465.73 g/mol. Its IUPAC name is N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine.

Molecular Properties

Compound NameN,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine
PubChem CID143342947
Molecular FormulaC29H47N5
Molecular Weight465.73 g/mol
Exact Mass465.38
IUPAC NameN,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine
SMILESC=C.C=C/N=c1\nc(C=C)cc(CC(=C)C)n1C.C=CC/C(C)=C(/C=C(\CC)CNC)N(C)C
InChIInChI=1S/C14H26N2.C13H17N3.C2H4/c1-7-9-12(3)14(16(5)6)10-13(8-2)11-15-4;1-6-11-9-12(8-10(3)4)16(5)13(15-11)14-7-2;1-2/h7,10,15H,1,8-9,11H2,2-6H3;6-7,9H,1-3,8H2,4-5H3;1-2H2/b13-10+,14-12-;14-13+;
InChIKeyNJSNPYMRFQDEPT-FYAVYUEGSA-N
XLogP5.98
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.73
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N,5-N,1-tetramethyl-2-[(4Z)-3-methylidenehepta-4,6-dienyl]-2H-pyrimidine-4,5-diamine
CID 129060013
(3E,5Z)-N-butyl-7-(5-ethenylimino-7-methylimino-1,2-dihydroazepin-2-yl)-N-ethylocta-3,5,7-trien-4-amine
CID 137257099
ethane;(5E,6E)-4-N-[(2E)-2-ethenylpenta-2,4-dienyl]-2-N-ethyl-6-ethylidene-5-prop-2-enylidene-2-N-propylpyrimidine-2,4-diamine;propane
CID 141966229
acetylene;ethane;(3E)-2-ethenyl-1-ethyl-1-methyl-3-(3-methylbut-3-en-2-ylidene)guanidine;(2E,4E)-5-ethenyl-N,2,4-trimethylocta-2,4,7-trien-1-amine;(3Z,5E)-6-methyl-1-N,5-N-bis(prop-1-en-2-yl)nona-3,5-dien-8-yne-1,5-diamine
CID 143342325
acetylene;2-N-[(2E)-2-[(E)-3-[1-[1-[(Z)-but-2-en-2-yl]-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl]ethenylamino]-2-methylprop-1-enyl]penta-2,4-dienyl]-3,4-dimethylidenecyclobutene-1,2-diamine
CID 143344310
(6E)-3-ethenyl-7-methyl-8-methylidene-N-[1-(1-methyl-2-methylidene-6-prop-1-en-2-ylpyrimidin-4-yl)ethenyl]deca-3,6-dien-2-amine;prop-1-en-2-amine
CID 143345421
acetylene;(E)-(6-but-1-en-2-yl-4-ethenyl-1-methylpyrimidin-2-ylidene)methanamine
CID 143345879
(3E)-1-[2-[[(5E)-2,6-dimethyl-5-(propan-2-ylideneamino)octa-2,5-dienyl]amino]prop-2-enyl]-3-[2-[[(3E)-6-ethenyl-3-methylocta-3,5,7-trien-2-yl]amino]hexa-1,5-dien-3-ylidene]-1-methyl-2-prop-1-en-2-ylguanidine;ethane
CID 143346807
(Z)-4-methylidene-2-[7-[[1-[(2E)-1-methyl-6-prop-1-en-2-yl-2-prop-2-enylidenepyrimidin-4-yl]ethenylamino]methyl]-1,3,4,9-tetrahydrocyclohepta[c]pyridin-2-yl]hex-2-en-3-amine
CID 143346983
ethane;ethenamine;(3E,5E)-6-fluoro-3,5-dimethylocta-3,5,7-trien-1-amine;N-methyl-1-[2-methylidene-6-(2-methylprop-2-enyl)-4-prop-1-en-2-ylpyrimidin-1-yl]methanimine
CID 143347084
2-but-1-en-2-yl-1-ethyl-1-[(2E,4Z,6E)-4-ethylidene-5-methyl-7-[[(Z)-3-[[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]prop-2-enyl]amino]hepta-2,6-dien-3-yl]-3-methylideneguanidine
CID 166806416
3-amino-N-[5-amino-4-[[(1,5-dimethyl-6-methylidene-3-pyridinyl)-methylamino]methyl]hexa-1,4-dien-3-ylidene]-N'-methylprop-2-enimidamide
CID 173702390

Frequently Asked Questions

What is the IUPAC name of N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine?
The IUPAC name of N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine (CID 143342947) is N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine.
What is the SMILES notation for N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine?
The canonical SMILES for N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine is C=C.C=C/N=c1\nc(C=C)cc(CC(=C)C)n1C.C=CC/C(C)=C(/C=C(\CC)CNC)N(C)C.
What is the InChIKey of N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine?
The InChIKey is NJSNPYMRFQDEPT-FYAVYUEGSA-N. The full InChI is InChI=1S/C14H26N2.C13H17N3.C2H4/c1-7-9-12(3)14(16(5)6)10-13(8-2)11-15-4;1-6-11-9-12(8-10(3)4)16(5)13(15-11)14-7-2;1-2/h7,10,15H,1,8-9,11H2,2-6H3;6-7,9H,1-3,8H2,4-5H3;1-2H2/b13-10+,14-12-;14-13+;.
What are the key properties of N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine?
N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine has a molecular weight of 465.73 g/mol, XLogP of 5.98, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(ethenyl)-1-methyl-6-(2-methylprop-2-enyl)pyrimidin-2-imine;ethene;(2E,4Z)-2-ethyl-1-N,4-N,4-N,5-tetramethylocta-2,4,7-triene-1,4-diamine is sourced from PubChem (CID 143342947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).