trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine

C15H27F3N2O — CID 129429871

IUPACtrans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESC[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H](C)N1CCOCC1
InChIInChI=1S/C15H27F3N2O/c1-11(12(2)20-6-8-21-9-7-20)19-14-5-3-4-13(10-14)15(16,17)18/h11-14,19H,3-10H2,1-2H3/t11-,12+,13+,14+/m0/s1
InChIKeyWLBWSIIYVDGWAJ-REWJHTLYSA-N
MW308.39 g/mol
LogP2.81
Rot. Bonds4

About trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine

trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 129429871) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID129429871
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Nametrans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESC[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H](C)N1CCOCC1
InChIInChI=1S/C15H27F3N2O/c1-11(12(2)20-6-8-21-9-7-20)19-14-5-3-4-13(10-14)15(16,17)18/h11-14,19H,3-10H2,1-2H3/t11-,12+,13+,14+/m0/s1
InChIKeyWLBWSIIYVDGWAJ-REWJHTLYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine with MolForge

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Related Compounds

N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]morpholine-4-sulfonamide
CID 95266419
1-(2,2-difluoroethyl)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]piperidin-4-amine
CID 97231653
N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747435
3-morpholin-4-yl-N-propan-2-ylbutan-2-amine
CID 115905686
N-[(2S,3S)-3-morpholin-4-ylbutan-2-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 99701525
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64917573
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 78842077
(2S)-N-[(2S)-butan-2-yl]-2-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 129430013
(2S)-N-[(2S)-butan-2-yl]-2-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 99626186
3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
CID 113250164
ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate
CID 64760017

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 129429871) is trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine is C[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)[C@@H](C)N1CCOCC1.
What is the InChIKey of trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is WLBWSIIYVDGWAJ-REWJHTLYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-11(12(2)20-6-8-21-9-7-20)19-14-5-3-4-13(10-14)15(16,17)18/h11-14,19H,3-10H2,1-2H3/t11-,12+,13+,14+/m0/s1.
What are the key properties of trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine?
trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 308.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 129429871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).