[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine

C13H21N3 — CID 79739861

IUPAC[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCc1ccc(CN2CCC(CN)C2)nc1
InChIInChI=1S/C13H21N3/c1-2-11-3-4-13(15-8-11)10-16-6-5-12(7-14)9-16/h3-4,8,12H,2,5-7,9-10,14H2,1H3
InChIKeyPEWAXAIYXCBFGF-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.42
Rot. Bonds4

About [1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine

[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 79739861) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is [1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID79739861
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCc1ccc(CN2CCC(CN)C2)nc1
InChIInChI=1S/C13H21N3/c1-2-11-3-4-13(15-8-11)10-16-6-5-12(7-14)9-16/h3-4,8,12H,2,5-7,9-10,14H2,1H3
InChIKeyPEWAXAIYXCBFGF-UHFFFAOYSA-N
XLogP1.42
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 77085193
1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 99931796
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120837821
5-ethyl-2-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 77097083
4-[[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-4-yl]methyl]morpholine
CID 77091868
5-ethyl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 89095451
[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]methanamine
CID 81312464
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 120837689
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
CID 118638744
[1-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 103438151

Frequently Asked Questions

What is the IUPAC name of [1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine (CID 79739861) is [1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine is CCc1ccc(CN2CCC(CN)C2)nc1.
What is the InChIKey of [1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is PEWAXAIYXCBFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-11-3-4-13(15-8-11)10-16-6-5-12(7-14)9-16/h3-4,8,12H,2,5-7,9-10,14H2,1H3.
What are the key properties of [1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 79739861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).