2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine

C41H79N3 — CID 147530744

IUPAC2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(CCCCCCCC/C=C\C/C=C\CCCCC)NNCCN(C)C
InChIInChI=1S/C41H79N3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(43-42-39-40-44(3)4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,41-43H,5-12,17-18,23-40H2,1-4H3/b15-13-,16-14-,21-19-,22-20-
InChIKeyFMZHRHAFGJDYSI-KWXKLSQISA-N
MW614.10 g/mol
LogP12.42
Rot. Bonds35

About 2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine

2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine (PubChem CID 147530744) has the molecular formula C41H79N3 and a molecular weight of 614.10 g/mol. Its IUPAC name is 2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine
PubChem CID147530744
Molecular FormulaC41H79N3
Molecular Weight614.10 g/mol
Exact Mass613.63
IUPAC Name2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC(CCCCCCCC/C=C\C/C=C\CCCCC)NNCCN(C)C
InChIInChI=1S/C41H79N3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(43-42-39-40-44(3)4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,41-43H,5-12,17-18,23-40H2,1-4H3/b15-13-,16-14-,21-19-,22-20-
InChIKeyFMZHRHAFGJDYSI-KWXKLSQISA-N
XLogP12.42
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds35
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.10
LogP ≤ 512.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine (CID 147530744) is 2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine is CCCCC/C=C\C/C=C\CCCCCCCCC(CCCCCCCC/C=C\C/C=C\CCCCC)NNCCN(C)C.
What is the InChIKey of 2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine?
The InChIKey is FMZHRHAFGJDYSI-KWXKLSQISA-N. The full InChI is InChI=1S/C41H79N3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41(43-42-39-40-44(3)4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,41-43H,5-12,17-18,23-40H2,1-4H3/b15-13-,16-14-,21-19-,22-20-.
What are the key properties of 2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine?
2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine has a molecular weight of 614.10 g/mol, XLogP of 12.42, 35 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]hydrazinyl]-N,N-dimethylethanamine is sourced from PubChem (CID 147530744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).