2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine

C14H27F3N2 — CID 79828387

IUPAC2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine
SMILESCCNC1C(N(C)CCC(F)(F)F)CCCC1(C)C
InChIInChI=1S/C14H27F3N2/c1-5-18-12-11(7-6-8-13(12,2)3)19(4)10-9-14(15,16)17/h11-12,18H,5-10H2,1-4H3
InChIKeyXXBGBLGPYAPCLZ-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds5

About 2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine

2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine (PubChem CID 79828387) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine
PubChem CID79828387
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine
SMILESCCNC1C(N(C)CCC(F)(F)F)CCCC1(C)C
InChIInChI=1S/C14H27F3N2/c1-5-18-12-11(7-6-8-13(12,2)3)19(4)10-9-14(15,16)17/h11-12,18H,5-10H2,1-4H3
InChIKeyXXBGBLGPYAPCLZ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
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,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine (CID 79828387) is 2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine is CCNC1C(N(C)CCC(F)(F)F)CCCC1(C)C.
What is the InChIKey of 2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine?
The InChIKey is XXBGBLGPYAPCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-5-18-12-11(7-6-8-13(12,2)3)19(4)10-9-14(15,16)17/h11-12,18H,5-10H2,1-4H3.
What are the key properties of 2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine?
2-N-ethyl-1-N,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine has a molecular weight of 280.38 g/mol, XLogP of 3.43, 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,3,3-trimethyl-1-N-(3,3,3-trifluoropropyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 79828387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).