ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane

C52H108N2 — CID 156876100

IUPACethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane
SMILESC=C.C=CCCCCCCCCCN(CCCCCCCCCCCCC(C)CCCCCCCCCC)NC.CCCCCCCCCCC(C)CC
InChIInChI=1S/C36H74N2.C14H30.C2H4/c1-5-7-9-11-13-18-22-26-30-34-38(37-4)35-31-27-23-19-16-15-17-21-25-29-33-36(3)32-28-24-20-14-12-10-8-6-2;1-4-6-7-8-9-10-11-12-13-14(3)5-2;1-2/h5,36-37H,1,6-35H2,2-4H3;14H,4-13H2,1-3H3;1-2H2
InChIKeyCTWLLZYPQUEMAR-UHFFFAOYSA-N
MW761.45 g/mol
LogP18.55
Rot. Bonds43

About ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane

ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane (PubChem CID 156876100) has the molecular formula C52H108N2 and a molecular weight of 761.45 g/mol. Its IUPAC name is ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane.

Molecular Properties

Compound Nameethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane
PubChem CID156876100
Molecular FormulaC52H108N2
Molecular Weight761.45 g/mol
Exact Mass760.85
IUPAC Nameethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane
SMILESC=C.C=CCCCCCCCCCN(CCCCCCCCCCCCC(C)CCCCCCCCCC)NC.CCCCCCCCCCC(C)CC
InChIInChI=1S/C36H74N2.C14H30.C2H4/c1-5-7-9-11-13-18-22-26-30-34-38(37-4)35-31-27-23-19-16-15-17-21-25-29-33-36(3)32-28-24-20-14-12-10-8-6-2;1-4-6-7-8-9-10-11-12-13-14(3)5-2;1-2/h5,36-37H,1,6-35H2,2-4H3;14H,4-13H2,1-3H3;1-2H2
InChIKeyCTWLLZYPQUEMAR-UHFFFAOYSA-N
XLogP18.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds43
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.45
LogP ≤ 518.55
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

4-prop-2-enyl-N-(4-prop-2-enyloctadecyl)octadecan-1-amine
CID 88520711
(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
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-Dec-1-en-2-yl-1-(26-hexyl-4-methylidenetetratriacontan-13-yl)-2-methylhydrazine;pentadecane
CID 153367776
1,2-Diazabicyclo[8.8.8]hexacos-5-ene
CID 154118705
1-Dec-1-en-2-yl-1-(9,33-dihexyl-12,30-dimethylidenehentetracontan-21-yl)-2-methylhydrazine
CID 155485451
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-(6-Methylideneoctadecyl)-1-(8-methylidene-10-octyloctadecyl)hydrazine
CID 156190947

Frequently Asked Questions

What is the IUPAC name of ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane?
The IUPAC name of ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane (CID 156876100) is ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane.
What is the SMILES notation for ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane?
The canonical SMILES for ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane is C=C.C=CCCCCCCCCCN(CCCCCCCCCCCCC(C)CCCCCCCCCC)NC.CCCCCCCCCCC(C)CC.
What is the InChIKey of ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane?
The InChIKey is CTWLLZYPQUEMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74N2.C14H30.C2H4/c1-5-7-9-11-13-18-22-26-30-34-38(37-4)35-31-27-23-19-16-15-17-21-25-29-33-36(3)32-28-24-20-14-12-10-8-6-2;1-4-6-7-8-9-10-11-12-13-14(3)5-2;1-2/h5,36-37H,1,6-35H2,2-4H3;14H,4-13H2,1-3H3;1-2H2.
What are the key properties of ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane?
ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane has a molecular weight of 761.45 g/mol, XLogP of 18.55, 43 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane is sourced from PubChem (CID 156876100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).