N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine

C9H16F3N5 — CID 107050239

IUPACN-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1nnn(C)n1
InChIInChI=1S/C9H16F3N5/c1-3-13-7(4-5-9(10,11)12)6-8-14-16-17(2)15-8/h7,13H,3-6H2,1-2H3
InChIKeyBHXMCSAPJKQNJT-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.07
Rot. Bonds6

About N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine

N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine (PubChem CID 107050239) has the molecular formula C9H16F3N5 and a molecular weight of 251.26 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine
PubChem CID107050239
Molecular FormulaC9H16F3N5
Molecular Weight251.26 g/mol
Exact Mass251.14
IUPAC NameN-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1nnn(C)n1
InChIInChI=1S/C9H16F3N5/c1-3-13-7(4-5-9(10,11)12)6-8-14-16-17(2)15-8/h7,13H,3-6H2,1-2H3
InChIKeyBHXMCSAPJKQNJT-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine (CID 107050239) is N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine is CCNC(CCC(F)(F)F)Cc1nnn(C)n1.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine?
The InChIKey is BHXMCSAPJKQNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N5/c1-3-13-7(4-5-9(10,11)12)6-8-14-16-17(2)15-8/h7,13H,3-6H2,1-2H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine?
N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine has a molecular weight of 251.26 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)pentan-2-amine is sourced from PubChem (CID 107050239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).