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

C15H32N2O3 — CID 81073933

IUPACethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate
SMILESCCOC(=O)C(C)(N)CCCCN(C)CCOC(C)C
InChIInChI=1S/C15H32N2O3/c1-6-19-14(18)15(4,16)9-7-8-10-17(5)11-12-20-13(2)3/h13H,6-12,16H2,1-5H3
InChIKeyGDAQYTLNOSDQOD-UHFFFAOYSA-N
MW288.43 g/mol
LogP1.79
Rot. Bonds11

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

ethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate (PubChem CID 81073933) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is ethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate
PubChem CID81073933
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Nameethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate
SMILESCCOC(=O)C(C)(N)CCCCN(C)CCOC(C)C
InChIInChI=1S/C15H32N2O3/c1-6-19-14(18)15(4,16)9-7-8-10-17(5)11-12-20-13(2)3/h13H,6-12,16H2,1-5H3
InChIKeyGDAQYTLNOSDQOD-UHFFFAOYSA-N
XLogP1.79
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 51.79
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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Related Compounds

methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate
CID 81062130
2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanamide
CID 81061565
methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate
CID 81074648
ethyl 2-amino-4-[3-(dimethylamino)propyl-methylamino]-2-methylbutanoate
CID 63700322
ethyl (2R)-2-amino-2-methyltridecanoate
CID 125497893
ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride
CID 11817243
methyl 2-methyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 81062894
ethyl 6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexanoate
CID 81043545
ethyl 2-amino-6-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-methylhexanoate
CID 114234529
hydrazinyl 3-[methyl(2-propan-2-yloxyethyl)amino]propanoate
CID 81068250
ethyl 2-amino-5-(3,3-dimethylbutoxy)-2-methylpentanoate
CID 66225205
2-hydroxy-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81056783

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate?
The IUPAC name of ethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate (CID 81073933) is ethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate.
What is the SMILES notation for ethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate?
The canonical SMILES for ethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate is CCOC(=O)C(C)(N)CCCCN(C)CCOC(C)C.
What is the InChIKey of ethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate?
The InChIKey is GDAQYTLNOSDQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-6-19-14(18)15(4,16)9-7-8-10-17(5)11-12-20-13(2)3/h13H,6-12,16H2,1-5H3.
What are the key properties of ethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate?
ethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate has a molecular weight of 288.43 g/mol, XLogP of 1.79, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate is sourced from PubChem (CID 81073933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).