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

C14H27F3N2 — CID 55011321

IUPAC4-tert-butyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
SMILESCCN(CC(F)(F)F)C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C14H27F3N2/c1-5-19(9-14(15,16)17)12-8-10(13(2,3)4)6-7-11(12)18/h10-12H,5-9,18H2,1-4H3
InChIKeyKAQZYCRSVXTWLW-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.41
Rot. Bonds3

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

4-tert-butyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine (PubChem CID 55011321) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-tert-butyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-tert-butyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
PubChem CID55011321
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name4-tert-butyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
SMILESCCN(CC(F)(F)F)C1CC(C(C)(C)C)CCC1N
InChIInChI=1S/C14H27F3N2/c1-5-19(9-14(15,16)17)12-8-10(13(2,3)4)6-7-11(12)18/h10-12H,5-9,18H2,1-4H3
InChIKeyKAQZYCRSVXTWLW-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.41
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-ethyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The IUPAC name of 4-tert-butyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine (CID 55011321) is 4-tert-butyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 4-tert-butyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 4-tert-butyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine is CCN(CC(F)(F)F)C1CC(C(C)(C)C)CCC1N.
What is the InChIKey of 4-tert-butyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The InChIKey is KAQZYCRSVXTWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-5-19(9-14(15,16)17)12-8-10(13(2,3)4)6-7-11(12)18/h10-12H,5-9,18H2,1-4H3.
What are the key properties of 4-tert-butyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
4-tert-butyl-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine has a molecular weight of 280.38 g/mol, XLogP of 3.41, 3 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-ethyl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 55011321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).