methyl 4-(decylamino)butanoate;hydrochloride

C15H32ClNO2 — CID 71755516

IUPACmethyl 4-(decylamino)butanoate;hydrochloride
SMILESCCCCCCCCCCNCCCC(=O)OC.Cl
InChIInChI=1S/C15H31NO2.ClH/c1-3-4-5-6-7-8-9-10-13-16-14-11-12-15(17)18-2;/h16H,3-14H2,1-2H3;1H
InChIKeyBOLSPSNCAUZANZ-UHFFFAOYSA-N
MW293.88 g/mol
LogP4.09
Rot. Bonds13

About methyl 4-(decylamino)butanoate;hydrochloride

methyl 4-(decylamino)butanoate;hydrochloride (PubChem CID 71755516) has the molecular formula C15H32ClNO2 and a molecular weight of 293.88 g/mol. Its IUPAC name is methyl 4-(decylamino)butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(decylamino)butanoate;hydrochloride
PubChem CID71755516
Molecular FormulaC15H32ClNO2
Molecular Weight293.88 g/mol
Exact Mass293.21
IUPAC Namemethyl 4-(decylamino)butanoate;hydrochloride
SMILESCCCCCCCCCCNCCCC(=O)OC.Cl
InChIInChI=1S/C15H31NO2.ClH/c1-3-4-5-6-7-8-9-10-13-16-14-11-12-15(17)18-2;/h16H,3-14H2,1-2H3;1H
InChIKeyBOLSPSNCAUZANZ-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.88
LogP ≤ 54.09
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

methyl heptanoate;dihydrochloride
CID 140971064
methyl nonanoate;hydrochloride
CID 141151355
methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
methyl 2-(hexylamino)acetate;hydrochloride
CID 141426324
methyl 4-(ethylamino)butanoate;dihydrochloride
CID 174870876
nonyl 4-(nonylamino)butanoate
CID 142432007
CID 159528754
CID 159528754
methyl 4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 60926530
methanol;methyl decanoate
CID 174459243

Frequently Asked Questions

What is the IUPAC name of methyl 4-(decylamino)butanoate;hydrochloride?
The IUPAC name of methyl 4-(decylamino)butanoate;hydrochloride (CID 71755516) is methyl 4-(decylamino)butanoate;hydrochloride.
What is the SMILES notation for methyl 4-(decylamino)butanoate;hydrochloride?
The canonical SMILES for methyl 4-(decylamino)butanoate;hydrochloride is CCCCCCCCCCNCCCC(=O)OC.Cl.
What is the InChIKey of methyl 4-(decylamino)butanoate;hydrochloride?
The InChIKey is BOLSPSNCAUZANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2.ClH/c1-3-4-5-6-7-8-9-10-13-16-14-11-12-15(17)18-2;/h16H,3-14H2,1-2H3;1H.
What are the key properties of methyl 4-(decylamino)butanoate;hydrochloride?
methyl 4-(decylamino)butanoate;hydrochloride has a molecular weight of 293.88 g/mol, XLogP of 4.09, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(decylamino)butanoate;hydrochloride is sourced from PubChem (CID 71755516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).