1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine

C13H21N3 — CID 3157143

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
SMILESCCN1CCCC1CNCc1cccnc1
InChIInChI=1S/C13H21N3/c1-2-16-8-4-6-13(16)11-15-10-12-5-3-7-14-9-12/h3,5,7,9,13,15H,2,4,6,8,10-11H2,1H3
InChIKeyLOMXQNKDBFAGGB-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.66
Rot. Bonds5

About 1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine

1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 3157143) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
PubChem CID3157143
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine
SMILESCCN1CCCC1CNCc1cccnc1
InChIInChI=1S/C13H21N3/c1-2-16-8-4-6-13(16)11-15-10-12-5-3-7-14-9-12/h3,5,7,9,13,15H,2,4,6,8,10-11H2,1H3
InChIKeyLOMXQNKDBFAGGB-UHFFFAOYSA-N
XLogP1.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 79313456
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
1-(1-ethylpyrrolidin-2-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43764814
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
N-[(3-bromophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 17213784
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62581836
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine
CID 43183351
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-propoxyphenyl)methyl]methanamine
CID 29241340
5-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]-N-propan-2-ylpyrimidin-2-amine
CID 102536699

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine (CID 3157143) is 1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine is CCN1CCCC1CNCc1cccnc1.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is LOMXQNKDBFAGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-16-8-4-6-13(16)11-15-10-12-5-3-7-14-9-12/h3,5,7,9,13,15H,2,4,6,8,10-11H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 3157143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).