1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde

C25H39F3N4O2 — CID 144635419

IUPAC1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde
SMILESC=C/C=C\C(=C/C(C)C(CCC)=NOCc1c(C)cccc1NC)C(F)(F)F.C=O.CN(C)N
InChIInChI=1S/C22H29F3N2O.C2H8N2.CH2O/c1-6-8-12-18(22(23,24)25)14-17(4)20(10-7-2)27-28-15-19-16(3)11-9-13-21(19)26-5;1-4(2)3;1-2/h6,8-9,11-14,17,26H,1,7,10,15H2,2-5H3;3H2,1-2H3;1H2/b12-8-,18-14+,27-20?;;
InChIKeyPLMZHCAPXMLRFZ-NCABQATJSA-N
MW484.61 g/mol
LogP5.81
Rot. Bonds10

About 1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde

1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde (PubChem CID 144635419) has the molecular formula C25H39F3N4O2 and a molecular weight of 484.61 g/mol. Its IUPAC name is 1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde.

Molecular Properties

Compound Name1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde
PubChem CID144635419
Molecular FormulaC25H39F3N4O2
Molecular Weight484.61 g/mol
Exact Mass484.30
IUPAC Name1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde
SMILESC=C/C=C\C(=C/C(C)C(CCC)=NOCc1c(C)cccc1NC)C(F)(F)F.C=O.CN(C)N
InChIInChI=1S/C22H29F3N2O.C2H8N2.CH2O/c1-6-8-12-18(22(23,24)25)14-17(4)20(10-7-2)27-28-15-19-16(3)11-9-13-21(19)26-5;1-4(2)3;1-2/h6,8-9,11-14,17,26H,1,7,10,15H2,2-5H3;3H2,1-2H3;1H2/b12-8-,18-14+,27-20?;;
InChIKeyPLMZHCAPXMLRFZ-NCABQATJSA-N
XLogP5.81
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.61
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde?
The IUPAC name of 1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde (CID 144635419) is 1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde.
What is the SMILES notation for 1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde?
The canonical SMILES for 1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde is C=C/C=C\C(=C/C(C)C(CCC)=NOCc1c(C)cccc1NC)C(F)(F)F.C=O.CN(C)N.
What is the InChIKey of 1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde?
The InChIKey is PLMZHCAPXMLRFZ-NCABQATJSA-N. The full InChI is InChI=1S/C22H29F3N2O.C2H8N2.CH2O/c1-6-8-12-18(22(23,24)25)14-17(4)20(10-7-2)27-28-15-19-16(3)11-9-13-21(19)26-5;1-4(2)3;1-2/h6,8-9,11-14,17,26H,1,7,10,15H2,2-5H3;3H2,1-2H3;1H2/b12-8-,18-14+,27-20?;;.
What are the key properties of 1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde?
1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde has a molecular weight of 484.61 g/mol, XLogP of 5.81, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylhydrazine;N,3-dimethyl-2-[[[(6E,8Z)-5-methyl-7-(trifluoromethyl)undeca-6,8,10-trien-4-ylidene]amino]oxymethyl]aniline;formaldehyde is sourced from PubChem (CID 144635419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).