2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine

C14H27F3N2 — CID 55106148

IUPAC2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
SMILESCCN(CC(F)(F)F)C1CC(C(C)C)CCC1NC
InChIInChI=1S/C14H27F3N2/c1-5-19(9-14(15,16)17)13-8-11(10(2)3)6-7-12(13)18-4/h10-13,18H,5-9H2,1-4H3
InChIKeyAHIXNDBRVLBNAN-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.28
Rot. Bonds5

About 2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine

2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine (PubChem CID 55106148) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
PubChem CID55106148
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
SMILESCCN(CC(F)(F)F)C1CC(C(C)C)CCC1NC
InChIInChI=1S/C14H27F3N2/c1-5-19(9-14(15,16)17)13-8-11(10(2)3)6-7-12(13)18-4/h10-13,18H,5-9H2,1-4H3
InChIKeyAHIXNDBRVLBNAN-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine (CID 55106148) is 2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine is CCN(CC(F)(F)F)C1CC(C(C)C)CCC1NC.
What is the InChIKey of 2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The InChIKey is AHIXNDBRVLBNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-5-19(9-14(15,16)17)13-8-11(10(2)3)6-7-12(13)18-4/h10-13,18H,5-9H2,1-4H3.
What are the key properties of 2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine has a molecular weight of 280.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-methyl-4-propan-2-yl-2-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 55106148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).