methyl 2-(hex-5-enylamino)-2-methylpropanoate

C11H21NO2 — CID 151175914

IUPACmethyl 2-(hex-5-enylamino)-2-methylpropanoate
SMILESC=CCCCCNC(C)(C)C(=O)OC
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-9-12-11(2,3)10(13)14-4/h5,12H,1,6-9H2,2-4H3
InChIKeyNDGKAMXPYHJQMX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds7

About methyl 2-(hex-5-enylamino)-2-methylpropanoate

methyl 2-(hex-5-enylamino)-2-methylpropanoate (PubChem CID 151175914) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 2-(hex-5-enylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(hex-5-enylamino)-2-methylpropanoate
PubChem CID151175914
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 2-(hex-5-enylamino)-2-methylpropanoate
SMILESC=CCCCCNC(C)(C)C(=O)OC
InChIInChI=1S/C11H21NO2/c1-5-6-7-8-9-12-11(2,3)10(13)14-4/h5,12H,1,6-9H2,2-4H3
InChIKeyNDGKAMXPYHJQMX-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(hex-5-enylamino)-2-methylpropanoate?
The IUPAC name of methyl 2-(hex-5-enylamino)-2-methylpropanoate (CID 151175914) is methyl 2-(hex-5-enylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(hex-5-enylamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(hex-5-enylamino)-2-methylpropanoate is C=CCCCCNC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-(hex-5-enylamino)-2-methylpropanoate?
The InChIKey is NDGKAMXPYHJQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-7-8-9-12-11(2,3)10(13)14-4/h5,12H,1,6-9H2,2-4H3.
What are the key properties of methyl 2-(hex-5-enylamino)-2-methylpropanoate?
methyl 2-(hex-5-enylamino)-2-methylpropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hex-5-enylamino)-2-methylpropanoate is sourced from PubChem (CID 151175914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).