2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine

C13H22N4 — CID 63206971

IUPAC2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine
SMILESCN(CCN1CCCC1)c1ccnc(CN)c1
InChIInChI=1S/C13H22N4/c1-16(8-9-17-6-2-3-7-17)13-4-5-15-12(10-13)11-14/h4-5,10H,2-3,6-9,11,14H2,1H3
InChIKeyTUQKYPHGMUDZAI-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.07
Rot. Bonds5

About 2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine

2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine (PubChem CID 63206971) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine
PubChem CID63206971
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine
SMILESCN(CCN1CCCC1)c1ccnc(CN)c1
InChIInChI=1S/C13H22N4/c1-16(8-9-17-6-2-3-7-17)13-4-5-15-12(10-13)11-14/h4-5,10H,2-3,6-9,11,14H2,1H3
InChIKeyTUQKYPHGMUDZAI-UHFFFAOYSA-N
XLogP1.07
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine (CID 63206971) is 2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine is CN(CCN1CCCC1)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine?
The InChIKey is TUQKYPHGMUDZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16(8-9-17-6-2-3-7-17)13-4-5-15-12(10-13)11-14/h4-5,10H,2-3,6-9,11,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine?
2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-4-amine is sourced from PubChem (CID 63206971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).