methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate

C14H28N2O3 — CID 82743564

IUPACmethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate
SMILESCNC(C)(CCCCN(C)C1CCOC1)C(=O)OC
InChIInChI=1S/C14H28N2O3/c1-14(15-2,13(17)18-4)8-5-6-9-16(3)12-7-10-19-11-12/h12,15H,5-11H2,1-4H3
InChIKeyFMPJHKQZFFPKQU-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.03
Rot. Bonds8

About methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate

methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate (PubChem CID 82743564) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate
PubChem CID82743564
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate
SMILESCNC(C)(CCCCN(C)C1CCOC1)C(=O)OC
InChIInChI=1S/C14H28N2O3/c1-14(15-2,13(17)18-4)8-5-6-9-16(3)12-7-10-19-11-12/h12,15H,5-11H2,1-4H3
InChIKeyFMPJHKQZFFPKQU-UHFFFAOYSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.03
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

ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate
CID 82743485
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate
CID 82743969
ethyl 2-(cyclopropylamino)-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanoate
CID 82734670
2-(cyclopropylamino)-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanamide
CID 82743641
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711102
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
CID 82754356
6-[methyl(oxolan-3-yl)amino]hexanehydrazide
CID 82753777
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82735583
tert-butyl N-methyl-N-[2-[methyl-[(3S)-oxolan-3-yl]amino]ethyl]carbamate
CID 129433606
hydrazinyl 3-[methyl(oxolan-3-yl)amino]propanoate
CID 82754758
N-butyl-N-methyloxolan-3-amine
CID 154189060
N-(9-bromononyl)-N-methyloxolan-3-amine
CID 105343849

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate?
The IUPAC name of methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate (CID 82743564) is methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate.
What is the SMILES notation for methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate?
The canonical SMILES for methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate is CNC(C)(CCCCN(C)C1CCOC1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate?
The InChIKey is FMPJHKQZFFPKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-14(15-2,13(17)18-4)8-5-6-9-16(3)12-7-10-19-11-12/h12,15H,5-11H2,1-4H3.
What are the key properties of methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate?
methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate has a molecular weight of 272.39 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate is sourced from PubChem (CID 82743564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).