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

C10H18F3N5 — CID 107050240

IUPAC5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1nnn(C)n1
InChIInChI=1S/C10H18F3N5/c1-3-6-14-8(4-5-10(11,12)13)7-9-15-17-18(2)16-9/h8,14H,3-7H2,1-2H3
InChIKeyBOSJCDHWNFNGAZ-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.46
Rot. Bonds7

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

5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine (PubChem CID 107050240) has the molecular formula C10H18F3N5 and a molecular weight of 265.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine
PubChem CID107050240
Molecular FormulaC10H18F3N5
Molecular Weight265.28 g/mol
Exact Mass265.15
IUPAC Name5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC(F)(F)F)Cc1nnn(C)n1
InChIInChI=1S/C10H18F3N5/c1-3-6-14-8(4-5-10(11,12)13)7-9-15-17-18(2)16-9/h8,14H,3-7H2,1-2H3
InChIKeyBOSJCDHWNFNGAZ-UHFFFAOYSA-N
XLogP1.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine (CID 107050240) is 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine is CCCNC(CCC(F)(F)F)Cc1nnn(C)n1.
What is the InChIKey of 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine?
The InChIKey is BOSJCDHWNFNGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N5/c1-3-6-14-8(4-5-10(11,12)13)7-9-15-17-18(2)16-9/h8,14H,3-7H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine?
5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine has a molecular weight of 265.28 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(2-methyltetrazol-5-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 107050240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).