N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine

C14H22F3N3 — CID 64758617

IUPACN-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCCCCn2ccnc2)C1
InChIInChI=1S/C14H22F3N3/c15-14(16,17)12-4-3-5-13(10-12)19-6-1-2-8-20-9-7-18-11-20/h7,9,11-13,19H,1-6,8,10H2
InChIKeyYUJQDBMXXFZMMG-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.37
Rot. Bonds6

About N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine

N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758617) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758617
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC NameN-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCC(NCCCCn2ccnc2)C1
InChIInChI=1S/C14H22F3N3/c15-14(16,17)12-4-3-5-13(10-12)19-6-1-2-8-20-9-7-18-11-20/h7,9,11-13,19H,1-6,8,10H2
InChIKeyYUJQDBMXXFZMMG-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 124830068
N-(4-imidazol-1-ylbutyl)-4,4-dimethylcycloheptan-1-amine
CID 65083611
4-tert-butyl-N-(2-imidazol-1-ylethyl)cycloheptan-1-amine
CID 65089447
N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757364
5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 107302816
N-(4-imidazol-1-ylbutyl)-1-propan-2-ylazepan-4-amine
CID 65073591
N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 43608608
N-(3-imidazol-1-ylpropyl)-1-[(1S,3R)-3-methylcyclohexyl]piperidin-4-amine
CID 97228938
N-(3-imidazol-1-ylpropyl)-1-[(1R,3R)-3-methylcyclohexyl]piperidin-4-amine
CID 97228940
N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 61071274
N-(3-imidazol-1-ylpropyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43392168
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
CID 115704905

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 64758617) is N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCC(NCCCCn2ccnc2)C1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YUJQDBMXXFZMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c15-14(16,17)12-4-3-5-13(10-12)19-6-1-2-8-20-9-7-18-11-20/h7,9,11-13,19H,1-6,8,10H2.
What are the key properties of N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine?
N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).