tert-butyl 6-aminohexanoate;hydrochloride

C10H22ClNO2 — CID 71758555

IUPACtert-butyl 6-aminohexanoate;hydrochloride
SMILESCC(C)(C)OC(=O)CCCCCN.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-10(2,3)13-9(12)7-5-4-6-8-11;/h4-8,11H2,1-3H3;1H
InChIKeyDYPCMCLPEUUXFE-UHFFFAOYSA-N
MW223.74 g/mol
LogP2.27
Rot. Bonds5

About tert-butyl 6-aminohexanoate;hydrochloride

tert-butyl 6-aminohexanoate;hydrochloride (PubChem CID 71758555) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is tert-butyl 6-aminohexanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 6-aminohexanoate;hydrochloride
PubChem CID71758555
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Nametert-butyl 6-aminohexanoate;hydrochloride
SMILESCC(C)(C)OC(=O)CCCCCN.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-10(2,3)13-9(12)7-5-4-6-8-11;/h4-8,11H2,1-3H3;1H
InChIKeyDYPCMCLPEUUXFE-UHFFFAOYSA-N
XLogP2.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-aminohexanoate;hydrochloride?
The IUPAC name of tert-butyl 6-aminohexanoate;hydrochloride (CID 71758555) is tert-butyl 6-aminohexanoate;hydrochloride.
What is the SMILES notation for tert-butyl 6-aminohexanoate;hydrochloride?
The canonical SMILES for tert-butyl 6-aminohexanoate;hydrochloride is CC(C)(C)OC(=O)CCCCCN.Cl.
What is the InChIKey of tert-butyl 6-aminohexanoate;hydrochloride?
The InChIKey is DYPCMCLPEUUXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.ClH/c1-10(2,3)13-9(12)7-5-4-6-8-11;/h4-8,11H2,1-3H3;1H.
What are the key properties of tert-butyl 6-aminohexanoate;hydrochloride?
tert-butyl 6-aminohexanoate;hydrochloride has a molecular weight of 223.74 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-aminohexanoate;hydrochloride is sourced from PubChem (CID 71758555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).