2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine

C13H17N3 — CID 102878793

IUPAC2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine
SMILESCc1cncc(Cn2cccc2CCN)c1
InChIInChI=1S/C13H17N3/c1-11-7-12(9-15-8-11)10-16-6-2-3-13(16)4-5-14/h2-3,6-9H,4-5,10,14H2,1H3
InChIKeyCLTFJWAAOWUXDT-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.74
Rot. Bonds4

About 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine

2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 102878793) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine
PubChem CID102878793
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine
SMILESCc1cncc(Cn2cccc2CCN)c1
InChIInChI=1S/C13H17N3/c1-11-7-12(9-15-8-11)10-16-6-2-3-13(16)4-5-14/h2-3,6-9H,4-5,10,14H2,1H3
InChIKeyCLTFJWAAOWUXDT-UHFFFAOYSA-N
XLogP1.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]ethanamine
CID 102878789
1-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanone
CID 102877907
2-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanamine
CID 66404025
2-[1-[(4-iodophenyl)methyl]pyrrol-2-yl]ethanamine
CID 66404442
[1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine
CID 102877958
2-[1-[(2-methylquinolin-4-yl)methyl]pyrrol-2-yl]ethanamine
CID 79240135
2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine
CID 82895978
1-[(5-methyl-3-pyridinyl)methyl]benzimidazole
CID 102879192
1-[(5-methyl-3-pyridinyl)methyl]indole-4-carbothioamide
CID 107919437
5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole
CID 102879209
1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine
CID 102917234
N-methyl-1-[1-[(5-methyl-3-pyridinyl)methyl]indol-4-yl]methanamine
CID 102877971

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine (CID 102878793) is 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine is Cc1cncc(Cn2cccc2CCN)c1.
What is the InChIKey of 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is CLTFJWAAOWUXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-7-12(9-15-8-11)10-16-6-2-3-13(16)4-5-14/h2-3,6-9H,4-5,10,14H2,1H3.
What are the key properties of 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine?
2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 102878793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).