(1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine

C12H21F3N2 — CID 146526665

IUPAC(1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
SMILESCC(C)N[C@@H]1CC(C(F)(F)F)=CC[C@H]1N(C)C
InChIInChI=1S/C12H21F3N2/c1-8(2)16-10-7-9(12(13,14)15)5-6-11(10)17(3)4/h5,8,10-11,16H,6-7H2,1-4H3/t10-,11-/m1/s1
InChIKeyFEPQFMAPUXQGJM-GHMZBOCLSA-N
MW250.31 g/mol
LogP2.57
Rot. Bonds3

About (1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine

(1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine (PubChem CID 146526665) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is (1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine.

Molecular Properties

Compound Name(1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
PubChem CID146526665
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name(1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
SMILESCC(C)N[C@@H]1CC(C(F)(F)F)=CC[C@H]1N(C)C
InChIInChI=1S/C12H21F3N2/c1-8(2)16-10-7-9(12(13,14)15)5-6-11(10)17(3)4/h5,8,10-11,16H,6-7H2,1-4H3/t10-,11-/m1/s1
InChIKeyFEPQFMAPUXQGJM-GHMZBOCLSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
The IUPAC name of (1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine (CID 146526665) is (1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine.
What is the SMILES notation for (1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
The canonical SMILES for (1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine is CC(C)N[C@@H]1CC(C(F)(F)F)=CC[C@H]1N(C)C.
What is the InChIKey of (1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
The InChIKey is FEPQFMAPUXQGJM-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-8(2)16-10-7-9(12(13,14)15)5-6-11(10)17(3)4/h5,8,10-11,16H,6-7H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of (1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
(1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine has a molecular weight of 250.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine is sourced from PubChem (CID 146526665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).