N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine

C13H17N3 — CID 79261826

IUPACN-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine
SMILESCNCc1ccn(Cc2cccc(C)n2)c1
InChIInChI=1S/C13H17N3/c1-11-4-3-5-13(15-11)10-16-7-6-12(9-16)8-14-2/h3-7,9,14H,8,10H2,1-2H3
InChIKeyYNHMRAHNCYUFMU-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.96
Rot. Bonds4

About N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine

N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine (PubChem CID 79261826) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine
PubChem CID79261826
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine
SMILESCNCc1ccn(Cc2cccc(C)n2)c1
InChIInChI=1S/C13H17N3/c1-11-4-3-5-13(15-11)10-16-7-6-12(9-16)8-14-2/h3-7,9,14H,8,10H2,1-2H3
InChIKeyYNHMRAHNCYUFMU-UHFFFAOYSA-N
XLogP1.96
TPSA29.85 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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]propan-2-amine
CID 79261244
N-methyl-1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrol-3-yl]methanamine
CID 66406304
1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404693
N-methyl-1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]methanamine
CID 66405700
N-methyl-1-[1-[(2-methyl-3-nitrophenyl)methyl]pyrrol-3-yl]methanamine
CID 66406715
1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66405493
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
N-methyl-1-[3-[(6-methyl-2-pyridinyl)methoxy]phenyl]methanamine
CID 79268111
[1-[(6-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanol
CID 106717495
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66406726
N-[[1-(quinolin-2-ylmethyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404327
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methyl]propan-2-amine
CID 66405995

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine (CID 79261826) is N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine is CNCc1ccn(Cc2cccc(C)n2)c1.
What is the InChIKey of N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine?
The InChIKey is YNHMRAHNCYUFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-4-3-5-13(15-11)10-16-7-6-12(9-16)8-14-2/h3-7,9,14H,8,10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine?
N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine is sourced from PubChem (CID 79261826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).