2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

C11H18F3N5 — CID 107065333

IUPAC2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCn1nnc(CC(N)C2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H18F3N5/c1-19-17-10(16-18-19)6-9(15)7-2-4-8(5-3-7)11(12,13)14/h7-9H,2-6,15H2,1H3
InChIKeyXKLHEEILJVWNFM-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.45
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine

2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 107065333) has the molecular formula C11H18F3N5 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID107065333
Molecular FormulaC11H18F3N5
Molecular Weight277.29 g/mol
Exact Mass277.15
IUPAC Name2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESCn1nnc(CC(N)C2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C11H18F3N5/c1-19-17-10(16-18-19)6-9(15)7-2-4-8(5-3-7)11(12,13)14/h7-9H,2-6,15H2,1H3
InChIKeyXKLHEEILJVWNFM-UHFFFAOYSA-N
XLogP1.45
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine (CID 107065333) is 2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is Cn1nnc(CC(N)C2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is XKLHEEILJVWNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5/c1-19-17-10(16-18-19)6-9(15)7-2-4-8(5-3-7)11(12,13)14/h7-9H,2-6,15H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine?
2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 277.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 107065333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).