2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

C13H23N3 — CID 115656623

IUPAC2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESCC1CCCN1CCNCc1cccn1C
InChIInChI=1S/C13H23N3/c1-12-5-3-9-16(12)10-7-14-11-13-6-4-8-15(13)2/h4,6,8,12,14H,3,5,7,9-11H2,1-2H3
InChIKeyAUZPEJTYNWWJDG-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.60
Rot. Bonds5

About 2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (PubChem CID 115656623) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
PubChem CID115656623
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESCC1CCCN1CCNCc1cccn1C
InChIInChI=1S/C13H23N3/c1-12-5-3-9-16(12)10-7-14-11-13-6-4-8-15(13)2/h4,6,8,12,14H,3,5,7,9-11H2,1-2H3
InChIKeyAUZPEJTYNWWJDG-UHFFFAOYSA-N
XLogP1.60
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Tc-2216
CID 10176607
2-Methylpyrrole
CID 12489
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757
N-(2-benzyl),N-(1-methylpyrrol-2-ylmethyl)amine
CID 2222065
dimethyl[(1H-pyrrol-2-yl)methyl]amine
CID 260796
2-(Diethylaminomethyl)-pyridine
CID 253822
(2-Aminoethyl)(pyridin-2-ylmethyl)amine
CID 12677274
2-Ethylpyrrole
CID 137075
(1R,4R)-2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane
CID 9794155
2-(Pyridin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 9837971
(1S,4S)-2-(Pyridin-3-YL)-2,5-diazabicyclo[2.2.1]heptane
CID 16747994
(1R,4R)-2-pyridin-3-yl-2,5-diazabicyclo[2.2.1]heptane
CID 16748111

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (CID 115656623) is 2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is CC1CCCN1CCNCc1cccn1C.
What is the InChIKey of 2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is AUZPEJTYNWWJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12-5-3-9-16(12)10-7-14-11-13-6-4-8-15(13)2/h4,6,8,12,14H,3,5,7,9-11H2,1-2H3.
What are the key properties of 2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 221.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 115656623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).