6-methoxyhexyl 3,5-diaminobenzoate

C14H22N2O3 — CID 143490079

IUPAC6-methoxyhexyl 3,5-diaminobenzoate
SMILESCOCCCCCCOC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C14H22N2O3/c1-18-6-4-2-3-5-7-19-14(17)11-8-12(15)10-13(16)9-11/h8-10H,2-7,15-16H2,1H3
InChIKeySVYQTDPOPLSSLC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.21
Rot. Bonds8

About 6-methoxyhexyl 3,5-diaminobenzoate

6-methoxyhexyl 3,5-diaminobenzoate (PubChem CID 143490079) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-methoxyhexyl 3,5-diaminobenzoate.

Molecular Properties

Compound Name6-methoxyhexyl 3,5-diaminobenzoate
PubChem CID143490079
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name6-methoxyhexyl 3,5-diaminobenzoate
SMILESCOCCCCCCOC(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C14H22N2O3/c1-18-6-4-2-3-5-7-19-14(17)11-8-12(15)10-13(16)9-11/h8-10H,2-7,15-16H2,1H3
InChIKeySVYQTDPOPLSSLC-UHFFFAOYSA-N
XLogP2.21
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-methoxybutyl 3-amino-5-bromobenzoate
CID 113437101
decyl 3,5-diaminobenzoate
CID 22501528
(4-methoxy-4-oxobutyl) 3,5-diaminobenzoate
CID 61321796
[3-amino-5-(2-methoxyethoxycarbonyl)phenyl]boronic acid
CID 57487814
dipropyl 5-aminobenzene-1,3-dicarboxylate
CID 71344952
triheptyl benzene-1,3,5-tricarboxylate
CID 139819124
trihexadecyl benzene-1,3,5-tricarboxylate
CID 130473305
4-methoxybutyl 4-amino-3-chlorobenzoate
CID 104648957
4-methoxybutyl 4-acetylbenzoate;2-methoxyethyl 4-acetylbenzoate
CID 158601730
3-methoxypropyl 3-acetyl-5-methylbenzoate
CID 130466074
CID 165042081
CID 165042081
12-(4-aminobenzoyl)oxydodecyl 4-aminobenzoate
CID 43836069

Frequently Asked Questions

What is the IUPAC name of 6-methoxyhexyl 3,5-diaminobenzoate?
The IUPAC name of 6-methoxyhexyl 3,5-diaminobenzoate (CID 143490079) is 6-methoxyhexyl 3,5-diaminobenzoate.
What is the SMILES notation for 6-methoxyhexyl 3,5-diaminobenzoate?
The canonical SMILES for 6-methoxyhexyl 3,5-diaminobenzoate is COCCCCCCOC(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 6-methoxyhexyl 3,5-diaminobenzoate?
The InChIKey is SVYQTDPOPLSSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-6-4-2-3-5-7-19-14(17)11-8-12(15)10-13(16)9-11/h8-10H,2-7,15-16H2,1H3.
What are the key properties of 6-methoxyhexyl 3,5-diaminobenzoate?
6-methoxyhexyl 3,5-diaminobenzoate has a molecular weight of 266.34 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyhexyl 3,5-diaminobenzoate is sourced from PubChem (CID 143490079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).