1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane

C54H112N2 — CID 166471502

IUPAC1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane
SMILESC=CC(CCCCCCCC)CCCCCCCCCCCCCCCC.C=CCC(CCCCCC)CCCCCC.CCCCCCCCCN(C)NC
InChIInChI=1S/C27H54.C16H32.C11H26N2/c1-4-7-9-11-13-14-15-16-17-18-19-20-22-24-26-27(6-3)25-23-21-12-10-8-5-2;1-4-7-9-11-14-16(13-6-3)15-12-10-8-5-2;1-4-5-6-7-8-9-10-11-13(3)12-2/h6,27H,3-5,7-26H2,1-2H3;6,16H,3-5,7-15H2,1-2H3;12H,4-11H2,1-3H3
InChIKeyCTLGTQZOUOMOOV-UHFFFAOYSA-N
MW789.50 g/mol
LogP19.33
Rot. Bonds44

About 1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane

1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane (PubChem CID 166471502) has the molecular formula C54H112N2 and a molecular weight of 789.50 g/mol. Its IUPAC name is 1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane.

Molecular Properties

Compound Name1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane
PubChem CID166471502
Molecular FormulaC54H112N2
Molecular Weight789.50 g/mol
Exact Mass788.88
IUPAC Name1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane
SMILESC=CC(CCCCCCCC)CCCCCCCCCCCCCCCC.C=CCC(CCCCCC)CCCCCC.CCCCCCCCCN(C)NC
InChIInChI=1S/C27H54.C16H32.C11H26N2/c1-4-7-9-11-13-14-15-16-17-18-19-20-22-24-26-27(6-3)25-23-21-12-10-8-5-2;1-4-7-9-11-14-16(13-6-3)15-12-10-8-5-2;1-4-5-6-7-8-9-10-11-13(3)12-2/h6,27H,3-5,7-26H2,1-2H3;6,16H,3-5,7-15H2,1-2H3;12H,4-11H2,1-3H3
InChIKeyCTLGTQZOUOMOOV-UHFFFAOYSA-N
XLogP19.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds44
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.50
LogP ≤ 519.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-Ethyl-3-methyloct-7-en-4-yl)-1,2-dimethylhydrazine
CID 139566464
(5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene
CID 141220113
1-Dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane
CID 142475689
butane;ethane;4-ethyldecane;N-methylundec-10-en-1-amine;propane
CID 142531467
Acetylene;decane;[2-(8-ethenyl-10-octyloctadecyl)-2-(8-methyldec-9-enyl)hydrazinyl]methanamine
CID 145405543
decane;ethane;9-methylheptadecane;N-methyl-1-[2-(8-methyldec-9-enyl)-2-(8-methylnonyl)hydrazinyl]ethenamine
CID 145405639
1,2-Diazabicyclo[8.8.8]hexacos-5-ene
CID 154118705
1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine
CID 155485573
1-Butyl-1-methylhydrazine;ethane;ethene;10-ethenylhenicosane;10-ethylselanyldec-1-ene;7-pent-1-en-3-ylhexadecane
CID 155570160
1-[(2S)-3-ethenyl-6-methylnonan-2-yl]-2-methyl-1-prop-1-en-2-ylhydrazine
CID 156036004
1-But-3-enyl-1-methyl-2-[2-methyl-3-(2-methylcyclopropyl)propyl]hydrazine
CID 156156708
1-(6-Methylideneoctadecyl)-1-(8-methylidene-10-octyloctadecyl)hydrazine
CID 156190947

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane?
The IUPAC name of 1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane (CID 166471502) is 1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane.
What is the SMILES notation for 1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane?
The canonical SMILES for 1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane is C=CC(CCCCCCCC)CCCCCCCCCCCCCCCC.C=CCC(CCCCCC)CCCCCC.CCCCCCCCCN(C)NC.
What is the InChIKey of 1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane?
The InChIKey is CTLGTQZOUOMOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54.C16H32.C11H26N2/c1-4-7-9-11-13-14-15-16-17-18-19-20-22-24-26-27(6-3)25-23-21-12-10-8-5-2;1-4-7-9-11-14-16(13-6-3)15-12-10-8-5-2;1-4-5-6-7-8-9-10-11-13(3)12-2/h6,27H,3-5,7-26H2,1-2H3;6,16H,3-5,7-15H2,1-2H3;12H,4-11H2,1-3H3.
What are the key properties of 1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane?
1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane has a molecular weight of 789.50 g/mol, XLogP of 19.33, 44 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-nonylhydrazine;9-ethenylpentacosane;7-prop-2-enyltridecane is sourced from PubChem (CID 166471502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).