2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine

C14H27F3N2 — CID 79828362

IUPAC2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
SMILESCNC1C(N(CC(F)(F)F)C(C)C)CCCC1(C)C
InChIInChI=1S/C14H27F3N2/c1-10(2)19(9-14(15,16)17)11-7-6-8-13(3,4)12(11)18-5/h10-12,18H,6-9H2,1-5H3
InChIKeyPFIQUOOWVZTDTC-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds4

About 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine

2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine (PubChem CID 79828362) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
PubChem CID79828362
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine
SMILESCNC1C(N(CC(F)(F)F)C(C)C)CCCC1(C)C
InChIInChI=1S/C14H27F3N2/c1-10(2)19(9-14(15,16)17)11-7-6-8-13(3,4)12(11)18-5/h10-12,18H,6-9H2,1-5H3
InChIKeyPFIQUOOWVZTDTC-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine (CID 79828362) is 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine is CNC1C(N(CC(F)(F)F)C(C)C)CCCC1(C)C.
What is the InChIKey of 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
The InChIKey is PFIQUOOWVZTDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-10(2)19(9-14(15,16)17)11-7-6-8-13(3,4)12(11)18-5/h10-12,18H,6-9H2,1-5H3.
What are the key properties of 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine?
2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine has a molecular weight of 280.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 79828362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).