ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate

C13H27N3O2 — CID 81467403

IUPACethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(NCCN(C)C)CC(C)N(C)C1
InChIInChI=1S/C13H27N3O2/c1-6-18-12(17)13(14-7-8-15(3)4)9-11(2)16(5)10-13/h11,14H,6-10H2,1-5H3
InChIKeyXHBGZRCOHUDANS-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.16
Rot. Bonds6

About ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate

ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate (PubChem CID 81467403) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate
PubChem CID81467403
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nameethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate
SMILESCCOC(=O)C1(NCCN(C)C)CC(C)N(C)C1
InChIInChI=1S/C13H27N3O2/c1-6-18-12(17)13(14-7-8-15(3)4)9-11(2)16(5)10-13/h11,14H,6-10H2,1-5H3
InChIKeyXHBGZRCOHUDANS-UHFFFAOYSA-N
XLogP0.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxamide
CID 81468825
ethyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate
CID 81467706
ethyl 3-anilino-1,5-dimethylpyrrolidine-3-carboxylate
CID 81467504
ethyl 3-(2-fluoroanilino)-1,5-dimethylpyrrolidine-3-carboxylate
CID 81468732
ethyl 1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64759457
ethyl 4-[2-(dimethylamino)ethylamino]oxepane-4-carboxylate
CID 65079017
methyl 3-[2-(dimethylamino)ethylamino]-1-methylpyrrolidine-3-carboxylate
CID 62976966
ethyl 3-(3-methoxyanilino)-1,5-dimethylpyrrolidine-3-carboxylate
CID 81472733
ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate
CID 82718775
methyl 1-[2-(dimethylamino)ethylamino]-3-methylcyclohexane-1-carboxylate
CID 54895132
ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 62541011
ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 64751111

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate (CID 81467403) is ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate is CCOC(=O)C1(NCCN(C)C)CC(C)N(C)C1.
What is the InChIKey of ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate?
The InChIKey is XHBGZRCOHUDANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-18-12(17)13(14-7-8-15(3)4)9-11(2)16(5)10-13/h11,14H,6-10H2,1-5H3.
What are the key properties of ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate?
ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate has a molecular weight of 257.38 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 81467403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).