6-aminohexyl butanoate

C10H21NO2 — CID 15683407

IUPAC6-aminohexyl butanoate
SMILESCCCC(=O)OCCCCCCN
InChIInChI=1S/C10H21NO2/c1-2-7-10(12)13-9-6-4-3-5-8-11/h2-9,11H2,1H3
InChIKeyUPSUADUWXXXFRO-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.85
Rot. Bonds8

About 6-aminohexyl butanoate

6-aminohexyl butanoate (PubChem CID 15683407) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 6-aminohexyl butanoate.

Molecular Properties

Compound Name6-aminohexyl butanoate
PubChem CID15683407
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name6-aminohexyl butanoate
SMILESCCCC(=O)OCCCCCCN
InChIInChI=1S/C10H21NO2/c1-2-7-10(12)13-9-6-4-3-5-8-11/h2-9,11H2,1H3
InChIKeyUPSUADUWXXXFRO-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentyl 7-aminoheptanoate
CID 61304511
4-aminobutyl octadecanoate
CID 57169146
4-aminobutyl decanoate
CID 57039982
pentadecyl butanoate
CID 560582
dodecyl 4-aminobutanoate
CID 71385737
butyl 7-aminoheptanoate
CID 20502898
butane;dodecyl butanoate
CID 91569021
pentyl butanoate
CID 10890
pentyl 4-aminobutanoate
CID 14697328
4-butanoyloxybutyl heptanoate
CID 176849500
CID 161369205
CID 161369205
octyl 3-aminopropanoate;hydrochloride
CID 173393352

Frequently Asked Questions

What is the IUPAC name of 6-aminohexyl butanoate?
The IUPAC name of 6-aminohexyl butanoate (CID 15683407) is 6-aminohexyl butanoate.
What is the SMILES notation for 6-aminohexyl butanoate?
The canonical SMILES for 6-aminohexyl butanoate is CCCC(=O)OCCCCCCN.
What is the InChIKey of 6-aminohexyl butanoate?
The InChIKey is UPSUADUWXXXFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-7-10(12)13-9-6-4-3-5-8-11/h2-9,11H2,1H3.
What are the key properties of 6-aminohexyl butanoate?
6-aminohexyl butanoate has a molecular weight of 187.28 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexyl butanoate is sourced from PubChem (CID 15683407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).