1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane

C61H122N2 — CID 142611779

IUPAC1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane
SMILESC=C(C)C(CCCCCC)CC(C)CC.C=C(CCCCCCCCCCC(CCCCCCCCCC)N(NC)/C(=C/C)CCCCCCCC)C(CCCC)CCCCCC
InChIInChI=1S/C46H92N2.C15H30/c1-8-13-17-20-22-26-30-35-41-46(48(47-7)45(12-5)40-34-29-21-18-14-9-2)42-36-31-27-24-23-25-28-32-37-43(6)44(38-16-11-4)39-33-19-15-10-3;1-6-8-9-10-11-15(13(3)4)12-14(5)7-2/h12,44,46-47H,6,8-11,13-42H2,1-5,7H3;14-15H,3,6-12H2,1-2,4-5H3/b45-12+;
InChIKeySLTFRQXZQBCMGM-KVFZKGKESA-N
MW883.66 g/mol
LogP21.80
Rot. Bonds48

About 1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane

1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane (PubChem CID 142611779) has the molecular formula C61H122N2 and a molecular weight of 883.66 g/mol. Its IUPAC name is 1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane.

Molecular Properties

Compound Name1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane
PubChem CID142611779
Molecular FormulaC61H122N2
Molecular Weight883.66 g/mol
Exact Mass882.96
IUPAC Name1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane
SMILESC=C(C)C(CCCCCC)CC(C)CC.C=C(CCCCCCCCCCC(CCCCCCCCCC)N(NC)/C(=C/C)CCCCCCCC)C(CCCC)CCCCCC
InChIInChI=1S/C46H92N2.C15H30/c1-8-13-17-20-22-26-30-35-41-46(48(47-7)45(12-5)40-34-29-21-18-14-9-2)42-36-31-27-24-23-25-28-32-37-43(6)44(38-16-11-4)39-33-19-15-10-3;1-6-8-9-10-11-15(13(3)4)12-14(5)7-2/h12,44,46-47H,6,8-11,13-42H2,1-5,7H3;14-15H,3,6-12H2,1-2,4-5H3/b45-12+;
InChIKeySLTFRQXZQBCMGM-KVFZKGKESA-N
XLogP21.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds48
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.66
LogP ≤ 521.80
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'}

Analyze 1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane with MolForge

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Related Compounds

1-(6-methylheptyl)-1-[(Z)-8-methylnon-2-en-3-yl]hydrazine
CID 134313944
3,4-Dibutyl-2-cyclododecyl-5-cycloundecyl-1,5-dihydropyrazole
CID 134408317
1-N-[(7R)-5-ethyl-7,11-dimethyl-4-propyldodeca-1,10-dien-2-yl]-4-N-(7-hydrazinylheptyl)pent-4-ene-1,4-diamine
CID 139325508
1-Dec-1-en-2-yl-1-(21-hexyl-19-methylideneheptacosan-10-yl)-2-methylhydrazine;ethene;7-prop-2-enyltridecane
CID 142475689
1-[(3R)-3-butyl-5-cyclohexa-1,3-dien-1-ylcyclohexen-1-yl]-2-ethenyl-1-[(2S)-heptan-2-yl]hydrazine;ethane;methane;4-methylcyclohexa-2,4-dien-1-amine;octan-1-amine;prop-1-ene
CID 145644762
1-Dec-1-en-2-yl-1-(26-hexyl-4-methylidenetetratriacontan-13-yl)-2-methylhydrazine;pentadecane
CID 153367776
(1E,7E)-4-ethenyl-6-ethyl-2-[methyl(methylamino)amino]deca-1,7-dien-1-amine
CID 155129977
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-[(2S)-3-ethenyl-6-methylnonan-2-yl]-2-methyl-1-prop-1-en-2-ylhydrazine
CID 156036004
1-(24-Butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane
CID 157042582
N-[2-[7,8-dimethylnon-8-enyl-(dioctylamino)amino]ethyl]pent-1-en-2-amine;ethane;methanamine;pentadec-3-ene;tridec-1-ene;undecane
CID 166101127

Frequently Asked Questions

What is the IUPAC name of 1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane?
The IUPAC name of 1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane (CID 142611779) is 1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane.
What is the SMILES notation for 1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane?
The canonical SMILES for 1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane is C=C(C)C(CCCCCC)CC(C)CC.C=C(CCCCCCCCCCC(CCCCCCCCCC)N(NC)/C(=C/C)CCCCCCCC)C(CCCC)CCCCCC.
What is the InChIKey of 1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane?
The InChIKey is SLTFRQXZQBCMGM-KVFZKGKESA-N. The full InChI is InChI=1S/C46H92N2.C15H30/c1-8-13-17-20-22-26-30-35-41-46(48(47-7)45(12-5)40-34-29-21-18-14-9-2)42-36-31-27-24-23-25-28-32-37-43(6)44(38-16-11-4)39-33-19-15-10-3;1-6-8-9-10-11-15(13(3)4)12-14(5)7-2/h12,44,46-47H,6,8-11,13-42H2,1-5,7H3;14-15H,3,6-12H2,1-2,4-5H3/b45-12+;.
What are the key properties of 1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane?
1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane has a molecular weight of 883.66 g/mol, XLogP of 21.80, 48 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(23-butyl-22-methylidenenonacosan-11-yl)-2-methyl-1-[(E)-undec-2-en-3-yl]hydrazine;3-methyl-5-prop-1-en-2-ylundecane is sourced from PubChem (CID 142611779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).