2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine

C13H21N3 — CID 115656614

IUPAC2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCC1CCCN1CCNCc1ccncc1
InChIInChI=1S/C13H21N3/c1-12-3-2-9-16(12)10-8-15-11-13-4-6-14-7-5-13/h4-7,12,15H,2-3,8-11H2,1H3
InChIKeyROERAZJHGSWXGI-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.66
Rot. Bonds5

About 2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine

2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 115656614) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID115656614
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine
SMILESCC1CCCN1CCNCc1ccncc1
InChIInChI=1S/C13H21N3/c1-12-3-2-9-16(12)10-8-15-11-13-4-6-14-7-5-13/h4-7,12,15H,2-3,8-11H2,1H3
InChIKeyROERAZJHGSWXGI-UHFFFAOYSA-N
XLogP1.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.66
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

Nicotine
CID 89594
Anabasine
CID 205586
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
3-Pyridinemethanamine
CID 31018
Rivanicline
CID 5310967
(-)-Anatabine
CID 11388
4-Ethylpyridine
CID 10822
4-Pyridinemethanamine
CID 77317

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine (CID 115656614) is 2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine is CC1CCCN1CCNCc1ccncc1.
What is the InChIKey of 2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is ROERAZJHGSWXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-12-3-2-9-16(12)10-8-15-11-13-4-6-14-7-5-13/h4-7,12,15H,2-3,8-11H2,1H3.
What are the key properties of 2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine?
2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 1.66, 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-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 115656614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).