methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate

C14H30N2O3 — CID 64703757

IUPACmethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
SMILESCCNC(C)(CC(C)N(C)CCCOC)C(=O)OC
InChIInChI=1S/C14H30N2O3/c1-7-15-14(3,13(17)19-6)11-12(2)16(4)9-8-10-18-5/h12,15H,7-11H2,1-6H3
InChIKeyMHLHXCMSNITTGZ-UHFFFAOYSA-N
MW274.40 g/mol
LogP1.27
Rot. Bonds10

About methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate

methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate (PubChem CID 64703757) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
PubChem CID64703757
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Namemethyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
SMILESCCNC(C)(CC(C)N(C)CCCOC)C(=O)OC
InChIInChI=1S/C14H30N2O3/c1-7-15-14(3,13(17)19-6)11-12(2)16(4)9-8-10-18-5/h12,15H,7-11H2,1-6H3
InChIKeyMHLHXCMSNITTGZ-UHFFFAOYSA-N
XLogP1.27
TPSA50.80 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 ≤ 51.27
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-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64704564
methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64711767
4-[2-methoxyethyl(methyl)amino]-2-methyl-2-(propylamino)pentanamide
CID 64710690
methyl 2-amino-4-[butyl(methyl)amino]-2-methylpentanoate
CID 64725725
methyl 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoate
CID 103179847
methyl 4-butan-2-ylsulfanyl-2-(ethylamino)-2-methylpentanoate
CID 64709268
methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate
CID 64704572
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 78998497
2-(ethylamino)-4-[ethyl(methyl)amino]-2-methylpentanoic acid
CID 64727236
methyl 2-amino-4-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpentanoate
CID 64710865
methyl 4-(2-butoxyethoxy)-2-(ethylamino)-2-methylpentanoate
CID 64706315
methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate
CID 64710892

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate (CID 64703757) is methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate is CCNC(C)(CC(C)N(C)CCCOC)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate?
The InChIKey is MHLHXCMSNITTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-7-15-14(3,13(17)19-6)11-12(2)16(4)9-8-10-18-5/h12,15H,7-11H2,1-6H3.
What are the key properties of methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate?
methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate has a molecular weight of 274.40 g/mol, XLogP of 1.27, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate is sourced from PubChem (CID 64703757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).