1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane

C63H130N2 — CID 157042582

IUPAC1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane
SMILESC=C(CCCCCCCCCCC(CCCCCCCCCCC)N(C)NC)C(CCCC)CCCCCC.C=CC(CCCCCC)CC(C)CC.C=CCCCCCCCC.CC
InChIInChI=1S/C37H76N2.C14H28.C10H20.C2H6/c1-7-10-13-15-16-17-21-24-28-33-37(39(6)38-5)34-29-25-22-19-18-20-23-26-30-35(4)36(31-12-9-3)32-27-14-11-8-2;1-5-8-9-10-11-14(7-3)12-13(4)6-2;1-3-5-7-9-10-8-6-4-2;1-2/h36-38H,4,7-34H2,1-3,5-6H3;7,13-14H,3,5-6,8-12H2,1-2,4H3;3H,1,4-10H2,2H3;1-2H3
InChIKeyGFGHQSOOQHIZIJ-UHFFFAOYSA-N
MW915.75 g/mol
LogP22.72
Rot. Bonds48

About 1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane

1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane (PubChem CID 157042582) has the molecular formula C63H130N2 and a molecular weight of 915.75 g/mol. Its IUPAC name is 1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane.

Molecular Properties

Compound Name1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane
PubChem CID157042582
Molecular FormulaC63H130N2
Molecular Weight915.75 g/mol
Exact Mass915.02
IUPAC Name1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane
SMILESC=C(CCCCCCCCCCC(CCCCCCCCCCC)N(C)NC)C(CCCC)CCCCCC.C=CC(CCCCCC)CC(C)CC.C=CCCCCCCCC.CC
InChIInChI=1S/C37H76N2.C14H28.C10H20.C2H6/c1-7-10-13-15-16-17-21-24-28-33-37(39(6)38-5)34-29-25-22-19-18-20-23-26-30-35(4)36(31-12-9-3)32-27-14-11-8-2;1-5-8-9-10-11-14(7-3)12-13(4)6-2;1-3-5-7-9-10-8-6-4-2;1-2/h36-38H,4,7-34H2,1-3,5-6H3;7,13-14H,3,5-6,8-12H2,1-2,4H3;3H,1,4-10H2,2H3;1-2H3
InChIKeyGFGHQSOOQHIZIJ-UHFFFAOYSA-N
XLogP22.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds48
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.75
LogP ≤ 522.72
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-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine
CID 155248787
8-methylnonadec-1-ene
CID 90877384
11-ethyl-9-methylidenehexadec-1-ene
CID 155570249
3-methylpentadec-14-en-5-ol
CID 10823994
14-methylhexadec-1-ene
CID 86185732
7-methylundec-1-ene
CID 522554
11-methyltridec-1-ene
CID 528465
ethane;9-ethenylheptadecane;octane
CID 168985515
3-methyldodec-11-en-5-amine
CID 107011856
N-but-3-enyl-N-decyl-11-methyldodec-11-en-1-amine;ethane;8-ethyl-6-methylhexadecane;pentadecane
CID 145405517
9-butyltetracosane;icosane;oct-1-ene
CID 159857155
2-pentyldec-9-enoic acid
CID 175975601

Frequently Asked Questions

What is the IUPAC name of 1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane?
The IUPAC name of 1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane (CID 157042582) is 1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane.
What is the SMILES notation for 1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane?
The canonical SMILES for 1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane is C=C(CCCCCCCCCCC(CCCCCCCCCCC)N(C)NC)C(CCCC)CCCCCC.C=CC(CCCCCC)CC(C)CC.C=CCCCCCCCC.CC.
What is the InChIKey of 1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane?
The InChIKey is GFGHQSOOQHIZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H76N2.C14H28.C10H20.C2H6/c1-7-10-13-15-16-17-21-24-28-33-37(39(6)38-5)34-29-25-22-19-18-20-23-26-30-35(4)36(31-12-9-3)32-27-14-11-8-2;1-5-8-9-10-11-14(7-3)12-13(4)6-2;1-3-5-7-9-10-8-6-4-2;1-2/h36-38H,4,7-34H2,1-3,5-6H3;7,13-14H,3,5-6,8-12H2,1-2,4H3;3H,1,4-10H2,2H3;1-2H3.
What are the key properties of 1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane?
1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane has a molecular weight of 915.75 g/mol, XLogP of 22.72, 48 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane is sourced from PubChem (CID 157042582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).