azane;butyl 4-aminobenzoate

C11H18N2O2 — CID 175088613

IUPACazane;butyl 4-aminobenzoate
SMILESCCCCOC(=O)c1ccc(N)cc1.N
InChIInChI=1S/C11H15NO2.H3N/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;/h4-7H,2-3,8,12H2,1H3;1H3
InChIKeyCFNCSEGKLCUMFS-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.39
Rot. Bonds4

About azane;butyl 4-aminobenzoate

azane;butyl 4-aminobenzoate (PubChem CID 175088613) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is azane;butyl 4-aminobenzoate.

Molecular Properties

Compound Nameazane;butyl 4-aminobenzoate
PubChem CID175088613
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameazane;butyl 4-aminobenzoate
SMILESCCCCOC(=O)c1ccc(N)cc1.N
InChIInChI=1S/C11H15NO2.H3N/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;/h4-7H,2-3,8,12H2,1H3;1H3
InChIKeyCFNCSEGKLCUMFS-UHFFFAOYSA-N
XLogP2.39
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tetradecyl 4-aminobenzoate
CID 66970570
bis(dibutyl benzene-1,4-dicarboxylate);hydrogen peroxide
CID 175173285
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
butyl 4-(4-butoxycarbonylphenoxy)benzoate
CID 139890645
ditetradecyl benzene-1,4-dicarboxylate
CID 19868359
4-O-dodecyl 1-O-hexyl benzene-1,4-dicarboxylate
CID 91724658
(111C)butyl benzoate
CID 11994383
butyl 4-ethynylbenzoate
CID 57247768
butyl 4-(hydroxymethyl)benzoate
CID 54464600
(4-butoxyphenyl) 4-aminobenzoate
CID 142944256
butyl benzoate;methane
CID 174523775

Frequently Asked Questions

What is the IUPAC name of azane;butyl 4-aminobenzoate?
The IUPAC name of azane;butyl 4-aminobenzoate (CID 175088613) is azane;butyl 4-aminobenzoate.
What is the SMILES notation for azane;butyl 4-aminobenzoate?
The canonical SMILES for azane;butyl 4-aminobenzoate is CCCCOC(=O)c1ccc(N)cc1.N.
What is the InChIKey of azane;butyl 4-aminobenzoate?
The InChIKey is CFNCSEGKLCUMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.H3N/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9;/h4-7H,2-3,8,12H2,1H3;1H3.
What are the key properties of azane;butyl 4-aminobenzoate?
azane;butyl 4-aminobenzoate has a molecular weight of 210.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butyl 4-aminobenzoate is sourced from PubChem (CID 175088613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).