methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate

C14H28N2O3 — CID 64709105

IUPACmethyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate
SMILESCNC(C)(CC(C)N(C)CC1CCCO1)C(=O)OC
InChIInChI=1S/C14H28N2O3/c1-11(9-14(2,15-3)13(17)18-5)16(4)10-12-7-6-8-19-12/h11-12,15H,6-10H2,1-5H3
InChIKeyXNEBPMRCYQEPBA-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.03
Rot. Bonds7

About methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate

methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate (PubChem CID 64709105) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate
PubChem CID64709105
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate
SMILESCNC(C)(CC(C)N(C)CC1CCCO1)C(=O)OC
InChIInChI=1S/C14H28N2O3/c1-11(9-14(2,15-3)13(17)18-5)16(4)10-12-7-6-8-19-12/h11-12,15H,6-10H2,1-5H3
InChIKeyXNEBPMRCYQEPBA-UHFFFAOYSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

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Related Compounds

methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanoate
CID 64709856
2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanamide
CID 64711413
ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64710254
methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pentanoate
CID 64705195
2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 64728090
methyl 2-(cyclopropylamino)-4-[cyclopropylmethyl(methyl)amino]-2-methylpentanoate
CID 64709824
methyl 2-methyl-2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64711376
1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 62436071
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62846746
tert-butyl N-[4-amino-3-[methyl(oxolan-2-ylmethyl)amino]butan-2-yl]carbamate
CID 102729742
methyl 4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728233
methyl 4-[cyclohexyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64728349

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate (CID 64709105) is methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate is CNC(C)(CC(C)N(C)CC1CCCO1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate?
The InChIKey is XNEBPMRCYQEPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(9-14(2,15-3)13(17)18-5)16(4)10-12-7-6-8-19-12/h11-12,15H,6-10H2,1-5H3.
What are the key properties of methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate?
methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate has a molecular weight of 272.39 g/mol, XLogP of 1.03, 7 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)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate is sourced from PubChem (CID 64709105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).