N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide

C10H16IN3 — CID 149457997

IUPACN-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide
SMILESCN[NH+]1CCCC1c1cccnc1.[I-]
InChIInChI=1S/C10H15N3.HI/c1-11-13-7-3-5-10(13)9-4-2-6-12-8-9;/h2,4,6,8,10-11H,3,5,7H2,1H3;1H
InChIKeyRMSYWXVTRGMQCP-UHFFFAOYSA-N
MW305.16 g/mol
LogP-3.06
Rot. Bonds2

About N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide

N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide (PubChem CID 149457997) has the molecular formula C10H16IN3 and a molecular weight of 305.16 g/mol. Its IUPAC name is N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide.

Molecular Properties

Compound NameN-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide
PubChem CID149457997
Molecular FormulaC10H16IN3
Molecular Weight305.16 g/mol
Exact Mass305.04
IUPAC NameN-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide
SMILESCN[NH+]1CCCC1c1cccnc1.[I-]
InChIInChI=1S/C10H15N3.HI/c1-11-13-7-3-5-10(13)9-4-2-6-12-8-9;/h2,4,6,8,10-11H,3,5,7H2,1H3;1H
InChIKeyRMSYWXVTRGMQCP-UHFFFAOYSA-N
XLogP-3.06
TPSA29.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 5-3.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-pyridin-3-ylcyclobutyl)methyl]propan-2-amine
CID 81018367
N-[1,1,1,3,3,3-hexafluoro-2-[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]propan-2-yl]acetamide
CID 7123651
N-[(2-pyridin-3-ylcyclohexyl)methyl]propan-2-amine
CID 81027798
3-[(2R)-1-hept-2-ynylpiperidin-1-ium-2-yl]pyridine
CID 7069756
1-phenyl-2-[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]ethanone
CID 6953798
(1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine
CID 155537329
3-[(2R)-1-[(5S)-5-[(2-methylpropan-2-yl)oxy]hex-2-ynyl]piperidin-1-ium-2-yl]pyridine
CID 11881716
3-(2-methylcyclobutyl)pyridine
CID 174716389
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
CID 159245541
CID 159245541

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide?
The IUPAC name of N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide (CID 149457997) is N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide.
What is the SMILES notation for N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide?
The canonical SMILES for N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide is CN[NH+]1CCCC1c1cccnc1.[I-].
What is the InChIKey of N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide?
The InChIKey is RMSYWXVTRGMQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.HI/c1-11-13-7-3-5-10(13)9-4-2-6-12-8-9;/h2,4,6,8,10-11H,3,5,7H2,1H3;1H.
What are the key properties of N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide?
N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide has a molecular weight of 305.16 g/mol, XLogP of -3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-amine iodide is sourced from PubChem (CID 149457997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).