1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

C12H20N4 — CID 63166581

IUPAC1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(CN)cn2)C1
InChIInChI=1S/C12H20N4/c1-15(2)11-5-6-16(9-11)12-4-3-10(7-13)8-14-12/h3-4,8,11H,5-7,9,13H2,1-2H3
InChIKeyFYAHJQOOVZQCNP-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.68
Rot. Bonds3

About 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine

1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63166581) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63166581
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(c2ccc(CN)cn2)C1
InChIInChI=1S/C12H20N4/c1-15(2)11-5-6-16(9-11)12-4-3-10(7-13)8-14-12/h3-4,8,11H,5-7,9,13H2,1-2H3
InChIKeyFYAHJQOOVZQCNP-UHFFFAOYSA-N
XLogP0.68
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine (CID 63166581) is 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(c2ccc(CN)cn2)C1.
What is the InChIKey of 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is FYAHJQOOVZQCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-15(2)11-5-6-16(9-11)12-4-3-10(7-13)8-14-12/h3-4,8,11H,5-7,9,13H2,1-2H3.
What are the key properties of 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine?
1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 220.32 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63166581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).