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

C14H25F3N2 — CID 134438486

IUPAC(1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
SMILESCCC(C)(C)N[C@@H]1CC(C(F)(F)F)=CC[C@H]1N(C)C
InChIInChI=1S/C14H25F3N2/c1-6-13(2,3)18-11-9-10(14(15,16)17)7-8-12(11)19(4)5/h7,11-12,18H,6,8-9H2,1-5H3/t11-,12-/m1/s1
InChIKeyVWXIVRKUHSXSAY-VXGBXAGGSA-N
MW278.36 g/mol
LogP3.35
Rot. Bonds4

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

(1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine (PubChem CID 134438486) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine.

Molecular Properties

Compound Name(1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
PubChem CID134438486
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name(1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
SMILESCCC(C)(C)N[C@@H]1CC(C(F)(F)F)=CC[C@H]1N(C)C
InChIInChI=1S/C14H25F3N2/c1-6-13(2,3)18-11-9-10(14(15,16)17)7-8-12(11)19(4)5/h7,11-12,18H,6,8-9H2,1-5H3/t11-,12-/m1/s1
InChIKeyVWXIVRKUHSXSAY-VXGBXAGGSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
The IUPAC name of (1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine (CID 134438486) is (1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-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-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
The canonical SMILES for (1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine is CCC(C)(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-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
The InChIKey is VWXIVRKUHSXSAY-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-6-13(2,3)18-11-9-10(14(15,16)17)7-8-12(11)19(4)5/h7,11-12,18H,6,8-9H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of (1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
(1R,2R)-1-N,1-N-dimethyl-2-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.35, 4 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-(2-methylbutan-2-yl)-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine is sourced from PubChem (CID 134438486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).