cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine

C14H22F3N3 — CID 124830068

IUPACcis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESC[C@H](CN[C@H]1CCC[C@@H](C(F)(F)F)C1)Cn1ccnc1
InChIInChI=1S/C14H22F3N3/c1-11(9-20-6-5-18-10-20)8-19-13-4-2-3-12(7-13)14(15,16)17/h5-6,10-13,19H,2-4,7-9H2,1H3/t11-,12-,13+/m1/s1
InChIKeyOUPKWFSLEXWTCY-UPJWGTAASA-N
MW289.34 g/mol
LogP3.23
Rot. Bonds5

About cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine

cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 124830068) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID124830068
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC Namecis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESC[C@H](CN[C@H]1CCC[C@@H](C(F)(F)F)C1)Cn1ccnc1
InChIInChI=1S/C14H22F3N3/c1-11(9-20-6-5-18-10-20)8-19-13-4-2-3-12(7-13)14(15,16)17/h5-6,10-13,19H,2-4,7-9H2,1H3/t11-,12-,13+/m1/s1
InChIKeyOUPKWFSLEXWTCY-UPJWGTAASA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine with MolForge

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Related Compounds

1-Cyclohexylmethylimidazole
CID 20148465
3-[(2-Methyl-1H-imidazol-1-YL)methyl]piperidine
CID 18712969
3-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 63975807
4-[2-(1H-imidazol-1-yl)ethyl]piperidine
CID 13281183
3-methyl-1-(1-methyl-1H-imidazol-2-yl)butan-2-amine
CID 60758012
3-(1-methyl-1H-imidazol-2-yl)cyclohexan-1-amine dihydrochloride
CID 155820680
1-(Cyclohexylmethyl)-3-methylimidazolium bromide
CID 134821225
1-(2-Methylcyclohexyl)-3-methylimidazolium bromide
CID 134821233
1(2-Methylcyclohexyl)-3-methylimidazolium hydroxide
CID 134821235
(4-ethylcyclohexyl)[3-(1H-imidazol-1-yl)propyl]amine
CID 3116756
1-(4-Methylcyclohexyl)-2-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylguanidine
CID 75371578
N-(3-imidazol-1-ylpropyl)-1-(3-methylcyclohexyl)piperidin-4-amine
CID 75382332

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 124830068) is cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine is C[C@H](CN[C@H]1CCC[C@@H](C(F)(F)F)C1)Cn1ccnc1.
What is the InChIKey of cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is OUPKWFSLEXWTCY-UPJWGTAASA-N. The full InChI is InChI=1S/C14H22F3N3/c1-11(9-20-6-5-18-10-20)8-19-13-4-2-3-12(7-13)14(15,16)17/h5-6,10-13,19H,2-4,7-9H2,1H3/t11-,12-,13+/m1/s1.
What are the key properties of cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine?
cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 124830068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).