1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine

C50H100N2 — CID 155248787

IUPAC1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine
SMILESC=C(CCCCCCCCCCC(CCCCCCCCCCC(=C)C(CCCC)CCCCCC)N(C)N(C)C)C(CCCC)CCCCCC
InChIInChI=1S/C50H100N2/c1-10-14-18-34-42-48(40-16-12-3)46(5)38-32-28-24-20-22-26-30-36-44-50(52(9)51(7)8)45-37-31-27-23-21-25-29-33-39-47(6)49(41-17-13-4)43-35-19-15-11-2/h48-50H,5-6,10-45H2,1-4,7-9H3
InChIKeyJYPJOAXSQWGRRL-UHFFFAOYSA-N
MW729.36 g/mol
LogP17.23
Rot. Bonds42

About 1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine

1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine (PubChem CID 155248787) has the molecular formula C50H100N2 and a molecular weight of 729.36 g/mol. Its IUPAC name is 1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine.

Molecular Properties

Compound Name1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine
PubChem CID155248787
Molecular FormulaC50H100N2
Molecular Weight729.36 g/mol
Exact Mass728.79
IUPAC Name1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine
SMILESC=C(CCCCCCCCCCC(CCCCCCCCCCC(=C)C(CCCC)CCCCCC)N(C)N(C)C)C(CCCC)CCCCCC
InChIInChI=1S/C50H100N2/c1-10-14-18-34-42-48(40-16-12-3)46(5)38-32-28-24-20-22-26-30-36-44-50(52(9)51(7)8)45-37-31-27-23-21-25-29-33-39-47(6)49(41-17-13-4)43-35-19-15-11-2/h48-50H,5-6,10-45H2,1-4,7-9H3
InChIKeyJYPJOAXSQWGRRL-UHFFFAOYSA-N
XLogP17.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds42
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.36
LogP ≤ 517.23
H-Bond Donors ≤ 50
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

1,1,2-trimethyl-2-(17-methylideneicosan-8-yl)hydrazine
CID 155248592
1-(24-butyl-23-methylidenetriacontan-12-yl)-1,2-dimethylhydrazine;dec-1-ene;ethane;5-ethenyl-3-methylundecane
CID 157042582
N,N-dimethylicosan-5-amine
CID 19862397
N-[9-(4-butyldeca-1,2-dien-3-yloxy)nonyl]-N-(12-butyl-11-methylideneoctadecyl)hydroxylamine
CID 167209629
7-butyl-19-[dec-1-en-2-yl-[3-(methylamino)propyl]amino]-31-ethyl-30-methylideneheptatriacontan-8-one
CID 163296532
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dihydroxydecan-5-amine
CID 88629686
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
[(E)-9-[(12-butyl-11-methylideneoctadecyl)-(4-hydroxybutyl)amino]non-1-enyl] 2-butyloctanoate
CID 178131450
3-ethyl-2-methyldodec-1-ene
CID 174845873

Frequently Asked Questions

What is the IUPAC name of 1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine?
The IUPAC name of 1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine (CID 155248787) is 1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine.
What is the SMILES notation for 1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine?
The canonical SMILES for 1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine is C=C(CCCCCCCCCCC(CCCCCCCCCCC(=C)C(CCCC)CCCCCC)N(C)N(C)C)C(CCCC)CCCCCC.
What is the InChIKey of 1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine?
The InChIKey is JYPJOAXSQWGRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H100N2/c1-10-14-18-34-42-48(40-16-12-3)46(5)38-32-28-24-20-22-26-30-36-44-50(52(9)51(7)8)45-37-31-27-23-21-25-29-33-39-47(6)49(41-17-13-4)43-35-19-15-11-2/h48-50H,5-6,10-45H2,1-4,7-9H3.
What are the key properties of 1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine?
1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine has a molecular weight of 729.36 g/mol, XLogP of 17.23, 42 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,31-dibutyl-8,30-dimethylideneheptatriacontan-19-yl)-1,2,2-trimethylhydrazine is sourced from PubChem (CID 155248787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).