N-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine

C19H24F3N5 — CID 50812272

IUPACN-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine
SMILESFC(F)(F)c1cccc(-n2nnnc2C2(NC3CCCCC3)CCCC2)c1
InChIInChI=1S/C19H24F3N5/c20-19(21,22)14-7-6-10-16(13-14)27-17(24-25-26-27)18(11-4-5-12-18)23-15-8-2-1-3-9-15/h6-7,10,13,15,23H,1-5,8-9,11-12H2
InChIKeyNRDYSUCIMDZUNT-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.37
Rot. Bonds4

About N-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine

N-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine (PubChem CID 50812272) has the molecular formula C19H24F3N5 and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine
PubChem CID50812272
Molecular FormulaC19H24F3N5
Molecular Weight379.43 g/mol
Exact Mass379.20
IUPAC NameN-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine
SMILESFC(F)(F)c1cccc(-n2nnnc2C2(NC3CCCCC3)CCCC2)c1
InChIInChI=1S/C19H24F3N5/c20-19(21,22)14-7-6-10-16(13-14)27-17(24-25-26-27)18(11-4-5-12-18)23-15-8-2-1-3-9-15/h6-7,10,13,15,23H,1-5,8-9,11-12H2
InChIKeyNRDYSUCIMDZUNT-UHFFFAOYSA-N
XLogP4.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole
CID 3727571
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-3-(trifluoromethyl)aniline
CID 50812642
N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312066
[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride
CID 72716165
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312108
4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 50812242
1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
CID 30311701
3-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30312166
N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
CID 30312000
3,5-dimethyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]aniline
CID 30310073
N-cyclohexyl-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 9071191
N-cyclohexyl-3-(5-methyltetrazol-1-yl)aniline
CID 43733994

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine?
The IUPAC name of N-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine (CID 50812272) is N-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine.
What is the SMILES notation for N-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine?
The canonical SMILES for N-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine is FC(F)(F)c1cccc(-n2nnnc2C2(NC3CCCCC3)CCCC2)c1.
What is the InChIKey of N-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine?
The InChIKey is NRDYSUCIMDZUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5/c20-19(21,22)14-7-6-10-16(13-14)27-17(24-25-26-27)18(11-4-5-12-18)23-15-8-2-1-3-9-15/h6-7,10,13,15,23H,1-5,8-9,11-12H2.
What are the key properties of N-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine?
N-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine has a molecular weight of 379.43 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]cyclopentyl]cyclohexanamine is sourced from PubChem (CID 50812272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).