1-octadec-1-en-9-yl-2-propylhydrazine

C21H44N2 — CID 54272685

IUPAC1-octadec-1-en-9-yl-2-propylhydrazine
SMILESC=CCCCCCCC(CCCCCCCCC)NNCCC
InChIInChI=1S/C21H44N2/c1-4-7-9-11-13-15-17-19-21(23-22-20-6-3)18-16-14-12-10-8-5-2/h5,21-23H,2,4,6-20H2,1,3H3
InChIKeyRLGKIQRKEPGBJU-UHFFFAOYSA-N
MW324.60 g/mol
LogP6.53
Rot. Bonds19

About 1-octadec-1-en-9-yl-2-propylhydrazine

1-octadec-1-en-9-yl-2-propylhydrazine (PubChem CID 54272685) has the molecular formula C21H44N2 and a molecular weight of 324.60 g/mol. Its IUPAC name is 1-octadec-1-en-9-yl-2-propylhydrazine.

Molecular Properties

Compound Name1-octadec-1-en-9-yl-2-propylhydrazine
PubChem CID54272685
Molecular FormulaC21H44N2
Molecular Weight324.60 g/mol
Exact Mass324.35
IUPAC Name1-octadec-1-en-9-yl-2-propylhydrazine
SMILESC=CCCCCCCC(CCCCCCCCC)NNCCC
InChIInChI=1S/C21H44N2/c1-4-7-9-11-13-15-17-19-21(23-22-20-6-3)18-16-14-12-10-8-5-2/h5,21-23H,2,4,6-20H2,1,3H3
InChIKeyRLGKIQRKEPGBJU-UHFFFAOYSA-N
XLogP6.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.60
LogP ≤ 56.53
H-Bond Donors ≤ 52
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-octadec-1-en-9-yl-2-propylhydrazine?
The IUPAC name of 1-octadec-1-en-9-yl-2-propylhydrazine (CID 54272685) is 1-octadec-1-en-9-yl-2-propylhydrazine.
What is the SMILES notation for 1-octadec-1-en-9-yl-2-propylhydrazine?
The canonical SMILES for 1-octadec-1-en-9-yl-2-propylhydrazine is C=CCCCCCCC(CCCCCCCCC)NNCCC.
What is the InChIKey of 1-octadec-1-en-9-yl-2-propylhydrazine?
The InChIKey is RLGKIQRKEPGBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2/c1-4-7-9-11-13-15-17-19-21(23-22-20-6-3)18-16-14-12-10-8-5-2/h5,21-23H,2,4,6-20H2,1,3H3.
What are the key properties of 1-octadec-1-en-9-yl-2-propylhydrazine?
1-octadec-1-en-9-yl-2-propylhydrazine has a molecular weight of 324.60 g/mol, XLogP of 6.53, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadec-1-en-9-yl-2-propylhydrazine is sourced from PubChem (CID 54272685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).