2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine

C13H17N3 — CID 104822027

IUPAC2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine
SMILESCc1ccc(CNn2c(C)ccc2C)cn1
InChIInChI=1S/C13H17N3/c1-10-4-7-13(8-14-10)9-15-16-11(2)5-6-12(16)3/h4-8,15H,9H2,1-3H3
InChIKeyWTWYYKQCQFATNW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.55
Rot. Bonds3

About 2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine

2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine (PubChem CID 104822027) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine
PubChem CID104822027
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine
SMILESCc1ccc(CNn2c(C)ccc2C)cn1
InChIInChI=1S/C13H17N3/c1-10-4-7-13(8-14-10)9-15-16-11(2)5-6-12(16)3/h4-8,15H,9H2,1-3H3
InChIKeyWTWYYKQCQFATNW-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,5-dimethylpyrrol-1-yl)methyl]-2-methylpyridine
CID 62993324
2-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80831369
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 80695988
5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 62995202
1-(6-methyl-3-pyridinyl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 66398571
N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline
CID 104821896
2,3,4,5,6-pentafluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 60965717
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
2-ethyl-6-N-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80934553
1-(6-methyl-3-pyridinyl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 62997232
2-bromo-N-[(6-methyl-3-pyridinyl)methyl]pyridin-3-amine
CID 104819732

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine?
The IUPAC name of 2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine (CID 104822027) is 2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine is Cc1ccc(CNn2c(C)ccc2C)cn1.
What is the InChIKey of 2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine?
The InChIKey is WTWYYKQCQFATNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-4-7-13(8-14-10)9-15-16-11(2)5-6-12(16)3/h4-8,15H,9H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine?
2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrol-1-amine is sourced from PubChem (CID 104822027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).