2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C8H14F3N5 — CID 107053612

IUPAC2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Cc1nnn(C)n1
InChIInChI=1S/C8H14F3N5/c1-6(4-12-5-8(9,10)11)3-7-13-15-16(2)14-7/h6,12H,3-5H2,1-2H3
InChIKeyFPANIMAFTOEDJC-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.54
Rot. Bonds5

About 2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 107053612) has the molecular formula C8H14F3N5 and a molecular weight of 237.23 g/mol. Its IUPAC name is 2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID107053612
Molecular FormulaC8H14F3N5
Molecular Weight237.23 g/mol
Exact Mass237.12
IUPAC Name2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Cc1nnn(C)n1
InChIInChI=1S/C8H14F3N5/c1-6(4-12-5-8(9,10)11)3-7-13-15-16(2)14-7/h6,12H,3-5H2,1-2H3
InChIKeyFPANIMAFTOEDJC-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 107053612) is 2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)Cc1nnn(C)n1.
What is the InChIKey of 2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is FPANIMAFTOEDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N5/c1-6(4-12-5-8(9,10)11)3-7-13-15-16(2)14-7/h6,12H,3-5H2,1-2H3.
What are the key properties of 2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 237.23 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyltetrazol-5-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 107053612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).