N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine

C13H28N2 — CID 83228255

IUPACN-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine
SMILESCCNC(C)C(C)N1C(C)CCC1CC
InChIInChI=1S/C13H28N2/c1-6-13-9-8-10(3)15(13)12(5)11(4)14-7-2/h10-14H,6-9H2,1-5H3
InChIKeyXFJXGOOMBRNNSX-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.64
Rot. Bonds5

About N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine

N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine (PubChem CID 83228255) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine
PubChem CID83228255
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine
SMILESCCNC(C)C(C)N1C(C)CCC1CC
InChIInChI=1S/C13H28N2/c1-6-13-9-8-10(3)15(13)12(5)11(4)14-7-2/h10-14H,6-9H2,1-5H3
InChIKeyXFJXGOOMBRNNSX-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine?
The IUPAC name of N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine (CID 83228255) is N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine?
The canonical SMILES for N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine is CCNC(C)C(C)N1C(C)CCC1CC.
What is the InChIKey of N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine?
The InChIKey is XFJXGOOMBRNNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-6-13-9-8-10(3)15(13)12(5)11(4)14-7-2/h10-14H,6-9H2,1-5H3.
What are the key properties of N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine?
N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)butan-2-amine is sourced from PubChem (CID 83228255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).