N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine

C11H14FN5 — CID 55109003

IUPACN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C11H14FN5/c1-2-7-13-8-11-14-15-16-17(11)10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3
InChIKeyZIMOMGSJGBEIKX-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.30
Rot. Bonds5

About N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine (PubChem CID 55109003) has the molecular formula C11H14FN5 and a molecular weight of 235.27 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
PubChem CID55109003
Molecular FormulaC11H14FN5
Molecular Weight235.27 g/mol
Exact Mass235.12
IUPAC NameN-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C11H14FN5/c1-2-7-13-8-11-14-15-16-17(11)10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3
InChIKeyZIMOMGSJGBEIKX-UHFFFAOYSA-N
XLogP1.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.30
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-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine (CID 55109003) is N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine is CCCNCc1nnnn1-c1ccc(F)cc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine?
The InChIKey is ZIMOMGSJGBEIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5/c1-2-7-13-8-11-14-15-16-17(11)10-5-3-9(12)4-6-10/h3-6,13H,2,7-8H2,1H3.
What are the key properties of N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine?
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine has a molecular weight of 235.27 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 55109003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).