N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine

C9H16F3N5 — CID 103086706

IUPACN-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine
SMILESCNC(C)c1nnnn1CCCCC(F)(F)F
InChIInChI=1S/C9H16F3N5/c1-7(13-2)8-14-15-16-17(8)6-4-3-5-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyCATLNNGEPAIIQS-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.69
Rot. Bonds6

About N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine

N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine (PubChem CID 103086706) has the molecular formula C9H16F3N5 and a molecular weight of 251.26 g/mol. Its IUPAC name is N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine
PubChem CID103086706
Molecular FormulaC9H16F3N5
Molecular Weight251.26 g/mol
Exact Mass251.14
IUPAC NameN-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine
SMILESCNC(C)c1nnnn1CCCCC(F)(F)F
InChIInChI=1S/C9H16F3N5/c1-7(13-2)8-14-15-16-17(8)6-4-3-5-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyCATLNNGEPAIIQS-UHFFFAOYSA-N
XLogP1.69
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.69
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-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine (CID 103086706) is N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine is CNC(C)c1nnnn1CCCCC(F)(F)F.
What is the InChIKey of N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine?
The InChIKey is CATLNNGEPAIIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N5/c1-7(13-2)8-14-15-16-17(8)6-4-3-5-9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine?
N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine has a molecular weight of 251.26 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(5,5,5-trifluoropentyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).