1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine

C14H19N3 — CID 79261244

IUPAC1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
SMILESCc1cccc(Cn2ccc(CC(C)N)c2)n1
InChIInChI=1S/C14H19N3/c1-11(15)8-13-6-7-17(9-13)10-14-5-3-4-12(2)16-14/h3-7,9,11H,8,10,15H2,1-2H3
InChIKeyWKEKPERYLPQYQT-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.13
Rot. Bonds4

About 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine

1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine (PubChem CID 79261244) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
PubChem CID79261244
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
SMILESCc1cccc(Cn2ccc(CC(C)N)c2)n1
InChIInChI=1S/C14H19N3/c1-11(15)8-13-6-7-17(9-13)10-14-5-3-4-12(2)16-14/h3-7,9,11H,8,10,15H2,1-2H3
InChIKeyWKEKPERYLPQYQT-UHFFFAOYSA-N
XLogP2.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine (CID 79261244) is 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine is Cc1cccc(Cn2ccc(CC(C)N)c2)n1.
What is the InChIKey of 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine?
The InChIKey is WKEKPERYLPQYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(15)8-13-6-7-17(9-13)10-14-5-3-4-12(2)16-14/h3-7,9,11H,8,10,15H2,1-2H3.
What are the key properties of 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine?
1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine is sourced from PubChem (CID 79261244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).