ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate

C16H33N3O2 — CID 63165725

IUPACethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate
SMILESCCNC(C)(CCCN1CCC(N(C)C)C1)C(=O)OCC
InChIInChI=1S/C16H33N3O2/c1-6-17-16(3,15(20)21-7-2)10-8-11-19-12-9-14(13-19)18(4)5/h14,17H,6-13H2,1-5H3
InChIKeyPJTVRMKSARCLCW-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.33
Rot. Bonds9

About ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate

ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate (PubChem CID 63165725) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate
PubChem CID63165725
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Nameethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate
SMILESCCNC(C)(CCCN1CCC(N(C)C)C1)C(=O)OCC
InChIInChI=1S/C16H33N3O2/c1-6-17-16(3,15(20)21-7-2)10-8-11-19-12-9-14(13-19)18(4)5/h14,17H,6-13H2,1-5H3
InChIKeyPJTVRMKSARCLCW-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate?
The IUPAC name of ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate (CID 63165725) is ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate.
What is the SMILES notation for ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate?
The canonical SMILES for ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate is CCNC(C)(CCCN1CCC(N(C)C)C1)C(=O)OCC.
What is the InChIKey of ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate?
The InChIKey is PJTVRMKSARCLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-6-17-16(3,15(20)21-7-2)10-8-11-19-12-9-14(13-19)18(4)5/h14,17H,6-13H2,1-5H3.
What are the key properties of ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate?
ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate 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 ethyl 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpentanoate is sourced from PubChem (CID 63165725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).