acetic acid;1-octadecyl-2-propylhydrazine

C23H50N2O2 — CID 22323613

IUPACacetic acid;1-octadecyl-2-propylhydrazine
SMILESCC(=O)O.CCCCCCCCCCCCCCCCCCNNCCC
InChIInChI=1S/C21H46N2.C2H4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22-20-4-2;1-2(3)4/h22-23H,3-21H2,1-2H3;1H3,(H,3,4)
InChIKeyAEQOXDFUEGLASS-UHFFFAOYSA-N
MW386.67 g/mol
LogP6.84
Rot. Bonds20

About acetic acid;1-octadecyl-2-propylhydrazine

acetic acid;1-octadecyl-2-propylhydrazine (PubChem CID 22323613) has the molecular formula C23H50N2O2 and a molecular weight of 386.67 g/mol. Its IUPAC name is acetic acid;1-octadecyl-2-propylhydrazine.

Molecular Properties

Compound Nameacetic acid;1-octadecyl-2-propylhydrazine
PubChem CID22323613
Molecular FormulaC23H50N2O2
Molecular Weight386.67 g/mol
Exact Mass386.39
IUPAC Nameacetic acid;1-octadecyl-2-propylhydrazine
SMILESCC(=O)O.CCCCCCCCCCCCCCCCCCNNCCC
InChIInChI=1S/C21H46N2.C2H4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22-20-4-2;1-2(3)4/h22-23H,3-21H2,1-2H3;1H3,(H,3,4)
InChIKeyAEQOXDFUEGLASS-UHFFFAOYSA-N
XLogP6.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.67
LogP ≤ 56.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-2-propylhydrazine
CID 20568459
1,2-diheptylhydrazine
CID 11195547
acetic acid;decane
CID 172853582
1-decyl-2-octylhydrazine
CID 154085192
acetic acid;nonane
CID 174272180
1-butyl-2-octylhydrazine
CID 88598240
acetic acid;N-octadecylarsanylpropan-1-amine
CID 173498797
carbonic acid;N-hexylhexan-1-amine
CID 174995198
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;tetrakis(decane)
CID 173077422
acetic acid;N-octylhexacosanamide
CID 175173130
N-hexylacetamide
CID 24129
N-nonadecylacetamide
CID 54574805

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-octadecyl-2-propylhydrazine?
The IUPAC name of acetic acid;1-octadecyl-2-propylhydrazine (CID 22323613) is acetic acid;1-octadecyl-2-propylhydrazine.
What is the SMILES notation for acetic acid;1-octadecyl-2-propylhydrazine?
The canonical SMILES for acetic acid;1-octadecyl-2-propylhydrazine is CC(=O)O.CCCCCCCCCCCCCCCCCCNNCCC.
What is the InChIKey of acetic acid;1-octadecyl-2-propylhydrazine?
The InChIKey is AEQOXDFUEGLASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N2.C2H4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22-20-4-2;1-2(3)4/h22-23H,3-21H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-octadecyl-2-propylhydrazine?
acetic acid;1-octadecyl-2-propylhydrazine has a molecular weight of 386.67 g/mol, XLogP of 6.84, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-octadecyl-2-propylhydrazine is sourced from PubChem (CID 22323613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).