N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine

C13H17N3 — CID 66400952

IUPACN-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine
SMILESCNCc1cccn1CCc1cccnc1
InChIInChI=1S/C13H17N3/c1-14-11-13-5-3-8-16(13)9-6-12-4-2-7-15-10-12/h2-5,7-8,10,14H,6,9,11H2,1H3
InChIKeyPAELBHLNMTYLGI-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.85
Rot. Bonds5

About N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine

N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine (PubChem CID 66400952) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine
PubChem CID66400952
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine
SMILESCNCc1cccn1CCc1cccnc1
InChIInChI=1S/C13H17N3/c1-14-11-13-5-3-8-16(13)9-6-12-4-2-7-15-10-12/h2-5,7-8,10,14H,6,9,11H2,1H3
InChIKeyPAELBHLNMTYLGI-UHFFFAOYSA-N
XLogP1.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66411498
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
2-methyl-N-[[1-(2-phenylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66401243
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-2-yl]methanamine
CID 66403106
N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine
CID 66403495
N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide
CID 66402331
5-methyl-3-(2-pyridin-3-ylethyl)-1H-imidazole-2-thione
CID 81334784
3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine
CID 66152277
1-(2-pyridin-3-ylethyl)-2-sulfanylidenepyrimidin-4-one
CID 62403614
N-[(1-propylpyrrol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 66411298
N-(2-methylpropyl)-1-(2-pyridin-3-ylethyl)imidazol-2-amine
CID 106563117
4-[2-(methylaminomethyl)pyrrol-1-yl]butanenitrile
CID 66400963

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine (CID 66400952) is N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine is CNCc1cccn1CCc1cccnc1.
What is the InChIKey of N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine?
The InChIKey is PAELBHLNMTYLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-14-11-13-5-3-8-16(13)9-6-12-4-2-7-15-10-12/h2-5,7-8,10,14H,6,9,11H2,1H3.
What are the key properties of N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine?
N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine is sourced from PubChem (CID 66400952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).