[2-(dodecylamino)hydrazinyl] dodecanoate

C24H51N3O2 — CID 171545041

IUPAC[2-(dodecylamino)hydrazinyl] dodecanoate
SMILESCCCCCCCCCCCCNNNOC(=O)CCCCCCCCCCC
InChIInChI=1S/C24H51N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-29-24(28)22-20-18-16-14-12-10-8-6-4-2/h25-27H,3-23H2,1-2H3
InChIKeyWJGLTRUWKOCPNV-UHFFFAOYSA-N
MW413.69 g/mol
LogP6.89
Rot. Bonds24

About [2-(dodecylamino)hydrazinyl] dodecanoate

[2-(dodecylamino)hydrazinyl] dodecanoate (PubChem CID 171545041) has the molecular formula C24H51N3O2 and a molecular weight of 413.69 g/mol. Its IUPAC name is [2-(dodecylamino)hydrazinyl] dodecanoate.

Molecular Properties

Compound Name[2-(dodecylamino)hydrazinyl] dodecanoate
PubChem CID171545041
Molecular FormulaC24H51N3O2
Molecular Weight413.69 g/mol
Exact Mass413.40
IUPAC Name[2-(dodecylamino)hydrazinyl] dodecanoate
SMILESCCCCCCCCCCCCNNNOC(=O)CCCCCCCCCCC
InChIInChI=1S/C24H51N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-29-24(28)22-20-18-16-14-12-10-8-6-4-2/h25-27H,3-23H2,1-2H3
InChIKeyWJGLTRUWKOCPNV-UHFFFAOYSA-N
XLogP6.89
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.69
LogP ≤ 56.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(hexylamino) octanoate
CID 174754807
(dodecylamino) octanoate
CID 175102615
ethylamino decanoate
CID 151278124
methyl heptadecanoate
CID 15609
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
methyl tetradecanoate
CID 89052795
(nonylamino) butanoate
CID 167224180
(2-aminoethylamino) octadecanoate
CID 87496709
[[(Z)-octadec-9-enyl]amino] hexadecanoate
CID 155150078
(methoxycarbonylamino) octanoate
CID 87952242
alumane;tetradecanoyl tetradecanoate;zinc
CID 173056587

Frequently Asked Questions

What is the IUPAC name of [2-(dodecylamino)hydrazinyl] dodecanoate?
The IUPAC name of [2-(dodecylamino)hydrazinyl] dodecanoate (CID 171545041) is [2-(dodecylamino)hydrazinyl] dodecanoate.
What is the SMILES notation for [2-(dodecylamino)hydrazinyl] dodecanoate?
The canonical SMILES for [2-(dodecylamino)hydrazinyl] dodecanoate is CCCCCCCCCCCCNNNOC(=O)CCCCCCCCCCC.
What is the InChIKey of [2-(dodecylamino)hydrazinyl] dodecanoate?
The InChIKey is WJGLTRUWKOCPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-29-24(28)22-20-18-16-14-12-10-8-6-4-2/h25-27H,3-23H2,1-2H3.
What are the key properties of [2-(dodecylamino)hydrazinyl] dodecanoate?
[2-(dodecylamino)hydrazinyl] dodecanoate has a molecular weight of 413.69 g/mol, XLogP of 6.89, 24 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dodecylamino)hydrazinyl] dodecanoate is sourced from PubChem (CID 171545041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).