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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Related Compounds

1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66405485
1-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66406093
2-methyl-N-[[1-[(3-methyl-2-pyridinyl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 112651076
1-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]butan-2-amine
CID 66404885
1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66404468
1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66405884
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66405681
3-methyl-2-(pyrrol-1-ylmethyl)pyridine
CID 63306746
1-[(3-methyl-2-pyridinyl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017678
1-[1-[(4-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]butan-2-amine
CID 114859185
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrol-2-yl]butan-2-amine
CID 66406289
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-2-yl]butan-2-amine
CID 107887334

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).