N-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine

C13H25N5O — CID 55077139

IUPACN-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCOCCC2CCCN2C)nn1
InChIInChI=1S/C13H25N5O/c1-14-10-12-11-18(16-15-12)7-9-19-8-5-13-4-3-6-17(13)2/h11,13-14H,3-10H2,1-2H3
InChIKeyKOSVGKDXLKUBRW-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.50
Rot. Bonds8

About N-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine

N-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine (PubChem CID 55077139) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine
PubChem CID55077139
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine
SMILESCNCc1cn(CCOCCC2CCCN2C)nn1
InChIInChI=1S/C13H25N5O/c1-14-10-12-11-18(16-15-12)7-9-19-8-5-13-4-3-6-17(13)2/h11,13-14H,3-10H2,1-2H3
InChIKeyKOSVGKDXLKUBRW-UHFFFAOYSA-N
XLogP0.50
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine (CID 55077139) is N-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine is CNCc1cn(CCOCCC2CCCN2C)nn1.
What is the InChIKey of N-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine?
The InChIKey is KOSVGKDXLKUBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-14-10-12-11-18(16-15-12)7-9-19-8-5-13-4-3-6-17(13)2/h11,13-14H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine?
N-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine has a molecular weight of 267.38 g/mol, XLogP of 0.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-[2-(1-methylpyrrolidin-2-yl)ethoxy]ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 55077139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).