methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate

C16H33N3O2 — CID 79309260

IUPACmethyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate
SMILESCCNC(C)(CCCN(C)CC1CCCN1C)C(=O)OC
InChIInChI=1S/C16H33N3O2/c1-6-17-16(2,15(20)21-5)10-8-11-18(3)13-14-9-7-12-19(14)4/h14,17H,6-13H2,1-5H3
InChIKeyHPZWDZAYBLJOKZ-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.33
Rot. Bonds9

About methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate

methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate (PubChem CID 79309260) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate
PubChem CID79309260
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Namemethyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate
SMILESCCNC(C)(CCCN(C)CC1CCCN1C)C(=O)OC
InChIInChI=1S/C16H33N3O2/c1-6-17-16(2,15(20)21-5)10-8-11-18(3)13-14-9-7-12-19(14)4/h14,17H,6-13H2,1-5H3
InChIKeyHPZWDZAYBLJOKZ-UHFFFAOYSA-N
XLogP1.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate with MolForge

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Related Compounds

2-(cyclopropylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoic acid
CID 79309267
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoic acid
CID 79315014
2-methyl-2-(methylamino)-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanamide
CID 79315577
methyl 2-cyclopropyl-2-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanoate
CID 79309047
methyl 2-(ethylamino)-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711958
methyl 4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoate
CID 79313620
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]butane-1,4-diamine
CID 79312706
N-ethyl-N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 79314716
methyl 2-(ethylamino)-2-methyl-4-(4-methylazepan-1-yl)butanoate
CID 55247668
methyl 2-(ethylamino)-6-(3-methoxypiperidin-1-yl)-2-methylhexanoate
CID 102966583
2-(ethylamino)-2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-1-ol
CID 79317268
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 79315658

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate?
The IUPAC name of methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate (CID 79309260) is methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate.
What is the SMILES notation for methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate?
The canonical SMILES for methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate is CCNC(C)(CCCN(C)CC1CCCN1C)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate?
The InChIKey is HPZWDZAYBLJOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-6-17-16(2,15(20)21-5)10-8-11-18(3)13-14-9-7-12-19(14)4/h14,17H,6-13H2,1-5H3.
What are the key properties of methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate?
methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate has a molecular weight of 299.46 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-2-methyl-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentanoate is sourced from PubChem (CID 79309260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).