butylhydrazine;octadecanoic acid

C22H48N2O2 — CID 159234519

IUPACbutylhydrazine;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCCCNN
InChIInChI=1S/C18H36O2.C4H12N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-6-5/h2-17H2,1H3,(H,19,20);6H,2-5H2,1H3
InChIKeyKTHPUFXSAPCUEX-UHFFFAOYSA-N
MW372.64 g/mol
LogP6.58
Rot. Bonds19

About butylhydrazine;octadecanoic acid

butylhydrazine;octadecanoic acid (PubChem CID 159234519) has the molecular formula C22H48N2O2 and a molecular weight of 372.64 g/mol. Its IUPAC name is butylhydrazine;octadecanoic acid.

Molecular Properties

Compound Namebutylhydrazine;octadecanoic acid
PubChem CID159234519
Molecular FormulaC22H48N2O2
Molecular Weight372.64 g/mol
Exact Mass372.37
IUPAC Namebutylhydrazine;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCCCNN
InChIInChI=1S/C18H36O2.C4H12N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-6-5/h2-17H2,1H3,(H,19,20);6H,2-5H2,1H3
InChIKeyKTHPUFXSAPCUEX-UHFFFAOYSA-N
XLogP6.58
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 56.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 57488644
CID 57488644
N-butylbutan-1-amine;octanoic acid
CID 53326963
5-hydrazinylpentanoic acid
CID 175506840
decanedioic acid;dodecane
CID 159822517
dodecanoic acid
CID 158803546
decanoic acid;pentadecanoic acid
CID 157343657
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096

Frequently Asked Questions

What is the IUPAC name of butylhydrazine;octadecanoic acid?
The IUPAC name of butylhydrazine;octadecanoic acid (CID 159234519) is butylhydrazine;octadecanoic acid.
What is the SMILES notation for butylhydrazine;octadecanoic acid?
The canonical SMILES for butylhydrazine;octadecanoic acid is CCCCCCCCCCCCCCCCCC(=O)O.CCCCNN.
What is the InChIKey of butylhydrazine;octadecanoic acid?
The InChIKey is KTHPUFXSAPCUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C4H12N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-6-5/h2-17H2,1H3,(H,19,20);6H,2-5H2,1H3.
What are the key properties of butylhydrazine;octadecanoic acid?
butylhydrazine;octadecanoic acid has a molecular weight of 372.64 g/mol, XLogP of 6.58, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butylhydrazine;octadecanoic acid is sourced from PubChem (CID 159234519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).