1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

C13H22N4 — CID 83127619

IUPAC1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(N)c1ccc(N2CCC(N(C)C)C2)cn1
InChIInChI=1S/C13H22N4/c1-10(14)13-5-4-11(8-15-13)17-7-6-12(9-17)16(2)3/h4-5,8,10,12H,6-7,9,14H2,1-3H3
InChIKeyMYBUPJSLJALNEB-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.24
Rot. Bonds3

About 1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 83127619) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID83127619
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(N)c1ccc(N2CCC(N(C)C)C2)cn1
InChIInChI=1S/C13H22N4/c1-10(14)13-5-4-11(8-15-13)17-7-6-12(9-17)16(2)3/h4-5,8,10,12H,6-7,9,14H2,1-3H3
InChIKeyMYBUPJSLJALNEB-UHFFFAOYSA-N
XLogP1.24
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (CID 83127619) is 1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is CC(N)c1ccc(N2CCC(N(C)C)C2)cn1.
What is the InChIKey of 1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is MYBUPJSLJALNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(14)13-5-4-11(8-15-13)17-7-6-12(9-17)16(2)3/h4-5,8,10,12H,6-7,9,14H2,1-3H3.
What are the key properties of 1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 234.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-aminoethyl)-3-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 83127619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).