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

C15H21N3 — CID 112651314

IUPAC1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1Cc1ncccc1C
InChIInChI=1S/C15H21N3/c1-3-13(16)10-14-7-5-9-18(14)11-15-12(2)6-4-8-17-15/h4-9,13H,3,10-11,16H2,1-2H3
InChIKeyYGOLCUXCSOSXQF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.52
Rot. Bonds5

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

1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine (PubChem CID 112651314) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine
PubChem CID112651314
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine
SMILESCCC(N)Cc1cccn1Cc1ncccc1C
InChIInChI=1S/C15H21N3/c1-3-13(16)10-14-7-5-9-18(14)11-15-12(2)6-4-8-17-15/h4-9,13H,3,10-11,16H2,1-2H3
InChIKeyYGOLCUXCSOSXQF-UHFFFAOYSA-N
XLogP2.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine?
The IUPAC name of 1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine (CID 112651314) is 1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine is CCC(N)Cc1cccn1Cc1ncccc1C.
What is the InChIKey of 1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine?
The InChIKey is YGOLCUXCSOSXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-13(16)10-14-7-5-9-18(14)11-15-12(2)6-4-8-17-15/h4-9,13H,3,10-11,16H2,1-2H3.
What are the key properties of 1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine?
1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]butan-2-amine is sourced from PubChem (CID 112651314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).