1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine

C14H19N3 — CID 114698750

IUPAC1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
SMILESCCn1ccc(CNCc2ccncc2C)c1
InChIInChI=1S/C14H19N3/c1-3-17-7-5-13(11-17)9-16-10-14-4-6-15-8-12(14)2/h4-8,11,16H,3,9-10H2,1-2H3
InChIKeyZUSMMQYNHUXUQF-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.50
Rot. Bonds5

About 1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine

1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine (PubChem CID 114698750) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
PubChem CID114698750
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
SMILESCCn1ccc(CNCc2ccncc2C)c1
InChIInChI=1S/C14H19N3/c1-3-17-7-5-13(11-17)9-16-10-14-4-6-15-8-12(14)2/h4-8,11,16H,3,9-10H2,1-2H3
InChIKeyZUSMMQYNHUXUQF-UHFFFAOYSA-N
XLogP2.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 114698730
1-(1-ethylpyrrol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 66415561
1-(3,4-difluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114698678
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1-ethylpyrrol-3-yl)methanamine
CID 112668399
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698931
1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415106
1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 66414611
N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698965
(E)-4-chloro-N-[(3-methyl-4-pyridinyl)methyl]but-2-en-1-amine
CID 114699496
N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114699833
2-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114699562
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine (CID 114698750) is 1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine is CCn1ccc(CNCc2ccncc2C)c1.
What is the InChIKey of 1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
The InChIKey is ZUSMMQYNHUXUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-17-7-5-13(11-17)9-16-10-14-4-6-15-8-12(14)2/h4-8,11,16H,3,9-10H2,1-2H3.
What are the key properties of 1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine?
1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine is sourced from PubChem (CID 114698750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).