methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate

C17H36N2O2 — CID 79481545

IUPACmethyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate
SMILESCCNC(C)(CCCCN(CC)CC(C)CC)C(=O)OC
InChIInChI=1S/C17H36N2O2/c1-7-15(4)14-19(9-3)13-11-10-12-17(5,18-8-2)16(20)21-6/h15,18H,7-14H2,1-6H3
InChIKeyRBTPESWIBOJZMW-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.07
Rot. Bonds12

About methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate

methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate (PubChem CID 79481545) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate
PubChem CID79481545
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Namemethyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate
SMILESCCNC(C)(CCCCN(CC)CC(C)CC)C(=O)OC
InChIInChI=1S/C17H36N2O2/c1-7-15(4)14-19(9-3)13-11-10-12-17(5,18-8-2)16(20)21-6/h15,18H,7-14H2,1-6H3
InChIKeyRBTPESWIBOJZMW-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate?
The IUPAC name of methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate (CID 79481545) is methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate.
What is the SMILES notation for methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate?
The canonical SMILES for methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate is CCNC(C)(CCCCN(CC)CC(C)CC)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate?
The InChIKey is RBTPESWIBOJZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-7-15(4)14-19(9-3)13-11-10-12-17(5,18-8-2)16(20)21-6/h15,18H,7-14H2,1-6H3.
What are the key properties of methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate?
methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate has a molecular weight of 300.49 g/mol, XLogP of 3.07, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-6-[ethyl(2-methylbutyl)amino]-2-methylhexanoate is sourced from PubChem (CID 79481545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).