N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine

C8H14F3N5 — CID 103086701

IUPACN-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine
SMILESCNC(C)c1nnnn1CCCC(F)(F)F
InChIInChI=1S/C8H14F3N5/c1-6(12-2)7-13-14-15-16(7)5-3-4-8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyYBZIPKOLFDBAAE-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.30
Rot. Bonds5

About N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine

N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine (PubChem CID 103086701) has the molecular formula C8H14F3N5 and a molecular weight of 237.23 g/mol. Its IUPAC name is N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine
PubChem CID103086701
Molecular FormulaC8H14F3N5
Molecular Weight237.23 g/mol
Exact Mass237.12
IUPAC NameN-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine
SMILESCNC(C)c1nnnn1CCCC(F)(F)F
InChIInChI=1S/C8H14F3N5/c1-6(12-2)7-13-14-15-16(7)5-3-4-8(9,10)11/h6,12H,3-5H2,1-2H3
InChIKeyYBZIPKOLFDBAAE-UHFFFAOYSA-N
XLogP1.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine (CID 103086701) is N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine is CNC(C)c1nnnn1CCCC(F)(F)F.
What is the InChIKey of N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine?
The InChIKey is YBZIPKOLFDBAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N5/c1-6(12-2)7-13-14-15-16(7)5-3-4-8(9,10)11/h6,12H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine?
N-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine has a molecular weight of 237.23 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-methyl-1-[1-(4,4,4-trifluorobutyl)tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).