4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine

C13H25F3N2 — CID 60890984

IUPAC4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
SMILESCN(CC(F)(F)F)C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C13H25F3N2/c1-12(2,3)9-5-6-10(17)11(7-9)18(4)8-13(14,15)16/h9-11H,5-8,17H2,1-4H3
InChIKeyDQGJEHGXGNZSMS-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.02
Rot. Bonds2

About 4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine

4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine (PubChem CID 60890984) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
PubChem CID60890984
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
SMILESCN(CC(F)(F)F)C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C13H25F3N2/c1-12(2,3)9-5-6-10(17)11(7-9)18(4)8-13(14,15)16/h9-11H,5-8,17H2,1-4H3
InChIKeyDQGJEHGXGNZSMS-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The IUPAC name of 4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine (CID 60890984) is 4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine is CN(CC(F)(F)F)C1CC(C(C)(C)C)CCC1N.
What is the InChIKey of 4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The InChIKey is DQGJEHGXGNZSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-12(2,3)9-5-6-10(17)11(7-9)18(4)8-13(14,15)16/h9-11H,5-8,17H2,1-4H3.
What are the key properties of 4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine has a molecular weight of 266.35 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-N-methyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 60890984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).