N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine

C11H21FN4O — CID 114280387

IUPACN-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cn(CCCCCF)nn1
InChIInChI=1S/C11H21FN4O/c1-17-8-6-13-9-11-10-16(15-14-11)7-4-2-3-5-12/h10,13H,2-9H2,1H3
InChIKeyJORDGHRTPOPZJW-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.15
Rot. Bonds10

About N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine

N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 114280387) has the molecular formula C11H21FN4O and a molecular weight of 244.31 g/mol. Its IUPAC name is N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID114280387
Molecular FormulaC11H21FN4O
Molecular Weight244.31 g/mol
Exact Mass244.17
IUPAC NameN-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cn(CCCCCF)nn1
InChIInChI=1S/C11H21FN4O/c1-17-8-6-13-9-11-10-16(15-14-11)7-4-2-3-5-12/h10,13H,2-9H2,1H3
InChIKeyJORDGHRTPOPZJW-UHFFFAOYSA-N
XLogP1.15
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine (CID 114280387) is N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cn(CCCCCF)nn1.
What is the InChIKey of N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is JORDGHRTPOPZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN4O/c1-17-8-6-13-9-11-10-16(15-14-11)7-4-2-3-5-12/h10,13H,2-9H2,1H3.
What are the key properties of N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine?
N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 244.31 g/mol, XLogP of 1.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 114280387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).