1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine

C12H23F3N2 — CID 79828593

IUPAC1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
SMILESCNC1C(N(C)CC(F)(F)F)CCCC1(C)C
InChIInChI=1S/C12H23F3N2/c1-11(2)7-5-6-9(10(11)16-3)17(4)8-12(13,14)15/h9-10,16H,5-8H2,1-4H3
InChIKeyPSCCGYWOPWMITA-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.65
Rot. Bonds3

About 1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine

1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine (PubChem CID 79828593) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
PubChem CID79828593
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
SMILESCNC1C(N(C)CC(F)(F)F)CCCC1(C)C
InChIInChI=1S/C12H23F3N2/c1-11(2)7-5-6-9(10(11)16-3)17(4)8-12(13,14)15/h9-10,16H,5-8H2,1-4H3
InChIKeyPSCCGYWOPWMITA-UHFFFAOYSA-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 1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The IUPAC name of 1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine (CID 79828593) is 1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine is CNC1C(N(C)CC(F)(F)F)CCCC1(C)C.
What is the InChIKey of 1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The InChIKey is PSCCGYWOPWMITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-11(2)7-5-6-9(10(11)16-3)17(4)8-12(13,14)15/h9-10,16H,5-8H2,1-4H3.
What are the key properties of 1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)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 1-N,2-N,3,3-tetramethyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 79828593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).