1-hydrazinylethyl heptanoate

C9H20N2O2 — CID 172831790

IUPAC1-hydrazinylethyl heptanoate
SMILESCCCCCCC(=O)OC(C)NN
InChIInChI=1S/C9H20N2O2/c1-3-4-5-6-7-9(12)13-8(2)11-10/h8,11H,3-7,10H2,1-2H3
InChIKeyVPMJFXUCLHYWTK-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.31
Rot. Bonds7

About 1-hydrazinylethyl heptanoate

1-hydrazinylethyl heptanoate (PubChem CID 172831790) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-hydrazinylethyl heptanoate.

Molecular Properties

Compound Name1-hydrazinylethyl heptanoate
PubChem CID172831790
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-hydrazinylethyl heptanoate
SMILESCCCCCCC(=O)OC(C)NN
InChIInChI=1S/C9H20N2O2/c1-3-4-5-6-7-9(12)13-8(2)11-10/h8,11H,3-7,10H2,1-2H3
InChIKeyVPMJFXUCLHYWTK-UHFFFAOYSA-N
XLogP1.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(hydroxyamino)ethyl octadecanoate
CID 175042232
1-(octadecylamino)ethyl octadecanoate
CID 174990474
1-aminoethyl decanoate
CID 87547112
propan-2-yl undecanoate
CID 3016538
3-nonanoyloxybutan-2-yl nonanoate
CID 3050129
2-pentadecanoyloxypropyl pentadecanoate
CID 13161518
[(2R)-2-tetradecanoyloxypropyl] tetradecanoate
CID 99119157
2-dodecanoyloxypropyl pentadecanoate
CID 74829220
[(2R)-2-octanoyloxypropyl] octanoate
CID 73416129
2-nonadecanoyloxypropyl nonadecanoate
CID 13161520
hexadecyl hexadecanoate;propan-2-yl hexadecanoate
CID 160751215
1-hydroxyethyl hexadecanoate
CID 87454687

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinylethyl heptanoate?
The IUPAC name of 1-hydrazinylethyl heptanoate (CID 172831790) is 1-hydrazinylethyl heptanoate.
What is the SMILES notation for 1-hydrazinylethyl heptanoate?
The canonical SMILES for 1-hydrazinylethyl heptanoate is CCCCCCC(=O)OC(C)NN.
What is the InChIKey of 1-hydrazinylethyl heptanoate?
The InChIKey is VPMJFXUCLHYWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-4-5-6-7-9(12)13-8(2)11-10/h8,11H,3-7,10H2,1-2H3.
What are the key properties of 1-hydrazinylethyl heptanoate?
1-hydrazinylethyl heptanoate has a molecular weight of 188.27 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinylethyl heptanoate is sourced from PubChem (CID 172831790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).