1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine

C38H78N2 — CID 155485573

IUPAC1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine
SMILESCCCC/C=C/CC(C)CCCCCCCCC(CCCCCCCCCCC(C)CCCCC)N(CC)NC
InChIInChI=1S/C38H78N2/c1-7-10-12-19-25-31-37(5)33-27-21-17-18-23-29-35-38(40(9-3)39-6)34-28-22-16-14-13-15-20-26-32-36(4)30-24-11-8-2/h19,25,36-39H,7-18,20-24,26-35H2,1-6H3/b25-19+
InChIKeyCXTQXWXSVMPACY-NCELDCMTSA-N
MW563.06 g/mol
LogP12.82
Rot. Bonds32

About 1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine

1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine (PubChem CID 155485573) has the molecular formula C38H78N2 and a molecular weight of 563.06 g/mol. Its IUPAC name is 1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine.

Molecular Properties

Compound Name1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine
PubChem CID155485573
Molecular FormulaC38H78N2
Molecular Weight563.06 g/mol
Exact Mass562.62
IUPAC Name1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine
SMILESCCCC/C=C/CC(C)CCCCCCCCC(CCCCCCCCCCC(C)CCCCC)N(CC)NC
InChIInChI=1S/C38H78N2/c1-7-10-12-19-25-31-37(5)33-27-21-17-18-23-29-35-38(40(9-3)39-6)34-28-22-16-14-13-15-20-26-32-36(4)30-24-11-8-2/h19,25,36-39H,7-18,20-24,26-35H2,1-6H3/b25-19+
InChIKeyCXTQXWXSVMPACY-NCELDCMTSA-N
XLogP12.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.06
LogP ≤ 512.82
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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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine?
The IUPAC name of 1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine (CID 155485573) is 1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine.
What is the SMILES notation for 1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine?
The canonical SMILES for 1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine is CCCC/C=C/CC(C)CCCCCCCCC(CCCCCCCCCCC(C)CCCCC)N(CC)NC.
What is the InChIKey of 1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine?
The InChIKey is CXTQXWXSVMPACY-NCELDCMTSA-N. The full InChI is InChI=1S/C38H78N2/c1-7-10-12-19-25-31-37(5)33-27-21-17-18-23-29-35-38(40(9-3)39-6)34-28-22-16-14-13-15-20-26-32-36(4)30-24-11-8-2/h19,25,36-39H,7-18,20-24,26-35H2,1-6H3/b25-19+.
What are the key properties of 1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine?
1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine has a molecular weight of 563.06 g/mol, XLogP of 12.82, 32 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-8,28-dimethyltritriacont-5-en-17-yl]-1-ethyl-2-methylhydrazine is sourced from PubChem (CID 155485573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).