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

C12H23F3N2 — CID 134429422

IUPAC(1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine
SMILESCC(C)N[C@@H]1C[C@H](C(F)(F)F)CC[C@H]1N(C)C
InChIInChI=1S/C12H23F3N2/c1-8(2)16-10-7-9(12(13,14)15)5-6-11(10)17(3)4/h8-11,16H,5-7H2,1-4H3/t9-,10-,11-/m1/s1
InChIKeyZIVPVYKWXUACJF-GMTAPVOTSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds3

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

(1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine (PubChem CID 134429422) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name(1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine
PubChem CID134429422
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name(1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine
SMILESCC(C)N[C@@H]1C[C@H](C(F)(F)F)CC[C@H]1N(C)C
InChIInChI=1S/C12H23F3N2/c1-8(2)16-10-7-9(12(13,14)15)5-6-11(10)17(3)4/h8-11,16H,5-7H2,1-4H3/t9-,10-,11-/m1/s1
InChIKeyZIVPVYKWXUACJF-GMTAPVOTSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
The IUPAC name of (1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine (CID 134429422) is (1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for (1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
The canonical SMILES for (1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine is CC(C)N[C@@H]1C[C@H](C(F)(F)F)CC[C@H]1N(C)C.
What is the InChIKey of (1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
The InChIKey is ZIVPVYKWXUACJF-GMTAPVOTSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-8(2)16-10-7-9(12(13,14)15)5-6-11(10)17(3)4/h8-11,16H,5-7H2,1-4H3/t9-,10-,11-/m1/s1.
What are the key properties of (1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine?
(1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-1-N,1-N-dimethyl-2-N-propan-2-yl-4-(trifluoromethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 134429422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).