methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate

C14H30N2O3 — CID 81062130

IUPACmethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate
SMILESCOC(=O)C(C)(N)CCCCN(C)CCOC(C)C
InChIInChI=1S/C14H30N2O3/c1-12(2)19-11-10-16(4)9-7-6-8-14(3,15)13(17)18-5/h12H,6-11,15H2,1-5H3
InChIKeyKHESLCRYMWCREU-UHFFFAOYSA-N
MW274.40 g/mol
LogP1.40
Rot. Bonds10

About methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate

methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate (PubChem CID 81062130) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate
PubChem CID81062130
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Namemethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate
SMILESCOC(=O)C(C)(N)CCCCN(C)CCOC(C)C
InChIInChI=1S/C14H30N2O3/c1-12(2)19-11-10-16(4)9-7-6-8-14(3,15)13(17)18-5/h12H,6-11,15H2,1-5H3
InChIKeyKHESLCRYMWCREU-UHFFFAOYSA-N
XLogP1.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate?
The IUPAC name of methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate (CID 81062130) is methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate.
What is the SMILES notation for methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate?
The canonical SMILES for methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate is COC(=O)C(C)(N)CCCCN(C)CCOC(C)C.
What is the InChIKey of methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate?
The InChIKey is KHESLCRYMWCREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-12(2)19-11-10-16(4)9-7-6-8-14(3,15)13(17)18-5/h12H,6-11,15H2,1-5H3.
What are the key properties of methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate?
methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate has a molecular weight of 274.40 g/mol, XLogP of 1.40, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate is sourced from PubChem (CID 81062130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).