(5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide

C37H65BrN4O — CID 143441933

IUPAC(5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide
SMILESC/C=C\C(=C/C)C(CC)CCC.C=C/C=C\C(C)=C(/C)C(=C)C=CC(NCC)n1ncc(Br)c1C.CC.CC.CNC=O
InChIInChI=1S/C19H26BrN3.C12H22.C2H5NO.2C2H6/c1-7-9-10-14(3)16(5)15(4)11-12-19(21-8-2)23-17(6)18(20)13-22-23;1-5-9-11(7-3)12(8-4)10-6-2;1-3-2-4;2*1-2/h7,9-13,19,21H,1,4,8H2,2-3,5-6H3;5,7,9,12H,6,8,10H2,1-4H3;2H,1H3,(H,3,4);2*1-2H3/b10-9-,12-11?,16-14+;9-5-,11-7+;;;
InChIKeyCMOZNKHJHZMXLI-ODVAYCSRSA-N
MW661.86 g/mol
LogP11.00
Rot. Bonds14

About (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide

(5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide (PubChem CID 143441933) has the molecular formula C37H65BrN4O and a molecular weight of 661.86 g/mol. Its IUPAC name is (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide.

Molecular Properties

Compound Name(5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide
PubChem CID143441933
Molecular FormulaC37H65BrN4O
Molecular Weight661.86 g/mol
Exact Mass660.43
IUPAC Name(5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide
SMILESC/C=C\C(=C/C)C(CC)CCC.C=C/C=C\C(C)=C(/C)C(=C)C=CC(NCC)n1ncc(Br)c1C.CC.CC.CNC=O
InChIInChI=1S/C19H26BrN3.C12H22.C2H5NO.2C2H6/c1-7-9-10-14(3)16(5)15(4)11-12-19(21-8-2)23-17(6)18(20)13-22-23;1-5-9-11(7-3)12(8-4)10-6-2;1-3-2-4;2*1-2/h7,9-13,19,21H,1,4,8H2,2-3,5-6H3;5,7,9,12H,6,8,10H2,1-4H3;2H,1H3,(H,3,4);2*1-2H3/b10-9-,12-11?,16-14+;9-5-,11-7+;;;
InChIKeyCMOZNKHJHZMXLI-ODVAYCSRSA-N
XLogP11.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.86
LogP ≤ 511.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide with MolForge

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Related Compounds

N'-[(5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-5-ethenyl-6-methyl-4-methylidenenona-2,5,7-trienyl]-N-methylbutane-1,4-diamine
CID 143089990
(5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine
CID 143441934

Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide?
The IUPAC name of (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide (CID 143441933) is (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide.
What is the SMILES notation for (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide?
The canonical SMILES for (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide is C/C=C\C(=C/C)C(CC)CCC.C=C/C=C\C(C)=C(/C)C(=C)C=CC(NCC)n1ncc(Br)c1C.CC.CC.CNC=O.
What is the InChIKey of (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide?
The InChIKey is CMOZNKHJHZMXLI-ODVAYCSRSA-N. The full InChI is InChI=1S/C19H26BrN3.C12H22.C2H5NO.2C2H6/c1-7-9-10-14(3)16(5)15(4)11-12-19(21-8-2)23-17(6)18(20)13-22-23;1-5-9-11(7-3)12(8-4)10-6-2;1-3-2-4;2*1-2/h7,9-13,19,21H,1,4,8H2,2-3,5-6H3;5,7,9,12H,6,8,10H2,1-4H3;2H,1H3,(H,3,4);2*1-2H3/b10-9-,12-11?,16-14+;9-5-,11-7+;;;.
What are the key properties of (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide?
(5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide has a molecular weight of 661.86 g/mol, XLogP of 11.00, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-1-(4-bromo-5-methylpyrazol-1-yl)-N-ethyl-5,6-dimethyl-4-methylidenedeca-2,5,7,9-tetraen-1-amine;ethane;(Z,4Z)-5-ethyl-4-ethylideneoct-2-ene;N-methylformamide is sourced from PubChem (CID 143441933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).