1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane

C63H126N2 — CID 142475689

IUPAC1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane
SMILESC=C.C=C(CCCCCCCCC(CCCCCCCCC)N(NC)C(=C)CCCCCCCC)CC(CCCCCC)CCCCCC.C=CCC(CCCCCC)CCCCCC
InChIInChI=1S/C45H90N2.C16H32.C2H4/c1-8-12-16-20-22-27-33-39-45(47(46-7)43(6)36-30-26-21-17-13-9-2)40-34-28-24-23-25-29-35-42(5)41-44(37-31-18-14-10-3)38-32-19-15-11-4;1-4-7-9-11-14-16(13-6-3)15-12-10-8-5-2;1-2/h44-46H,5-6,8-41H2,1-4,7H3;6,16H,3-5,7-15H2,1-2H3;1-2H2
InChIKeyOKUXSIXFVQMROZ-UHFFFAOYSA-N
MW911.71 g/mol
LogP22.74
Rot. Bonds51

About 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane

1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane (PubChem CID 142475689) has the molecular formula C63H126N2 and a molecular weight of 911.71 g/mol. Its IUPAC name is 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane.

Molecular Properties

Compound Name1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane
PubChem CID142475689
Molecular FormulaC63H126N2
Molecular Weight911.71 g/mol
Exact Mass910.99
IUPAC Name1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane
SMILESC=C.C=C(CCCCCCCCC(CCCCCCCCC)N(NC)C(=C)CCCCCCCC)CC(CCCCCC)CCCCCC.C=CCC(CCCCCC)CCCCCC
InChIInChI=1S/C45H90N2.C16H32.C2H4/c1-8-12-16-20-22-27-33-39-45(47(46-7)43(6)36-30-26-21-17-13-9-2)40-34-28-24-23-25-29-35-42(5)41-44(37-31-18-14-10-3)38-32-19-15-11-4;1-4-7-9-11-14-16(13-6-3)15-12-10-8-5-2;1-2/h44-46H,5-6,8-41H2,1-4,7H3;6,16H,3-5,7-15H2,1-2H3;1-2H2
InChIKeyOKUXSIXFVQMROZ-UHFFFAOYSA-N
XLogP22.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds51
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.71
LogP ≤ 522.74
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

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CID 142497779
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CID 142611779
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-Dec-1-en-2-yl-1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-2,2-dimethylhydrazine
CID 155358460
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-(21-Hexyl-19-methylideneheptacosan-10-yl)-2,2-dimethyl-1-non-1-en-2-ylhydrazine
CID 155485635
1-[(2S)-3-ethenyl-6-methylnonan-2-yl]-2-methyl-1-prop-1-en-2-ylhydrazine
CID 156036004
N'-but-3-enyl-2,2-dimethyl-3-[5-(2-methylhydrazinyl)-2-methylidenehex-5-enyl]pentane-1,5-diamine
CID 156434811
Ethene;2-methyl-1-(13-methyltricosyl)-1-undec-10-enylhydrazine;3-methyltridecane
CID 156876100
1-(24-Butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane
CID 157042582

Frequently Asked Questions

What is the IUPAC name of 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane?
The IUPAC name of 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane (CID 142475689) is 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane.
What is the SMILES notation for 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane?
The canonical SMILES for 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane is C=C.C=C(CCCCCCCCC(CCCCCCCCC)N(NC)C(=C)CCCCCCCC)CC(CCCCCC)CCCCCC.C=CCC(CCCCCC)CCCCCC.
What is the InChIKey of 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane?
The InChIKey is OKUXSIXFVQMROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H90N2.C16H32.C2H4/c1-8-12-16-20-22-27-33-39-45(47(46-7)43(6)36-30-26-21-17-13-9-2)40-34-28-24-23-25-29-35-42(5)41-44(37-31-18-14-10-3)38-32-19-15-11-4;1-4-7-9-11-14-16(13-6-3)15-12-10-8-5-2;1-2/h44-46H,5-6,8-41H2,1-4,7H3;6,16H,3-5,7-15H2,1-2H3;1-2H2.
What are the key properties of 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane?
1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane has a molecular weight of 911.71 g/mol, XLogP of 22.74, 51 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane is sourced from PubChem (CID 142475689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).