4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine

C14H20F3N3 — CID 79111698

IUPAC4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine
SMILESCCN(c1ccc(C(F)(F)F)cn1)C1CCC(N)CC1
InChIInChI=1S/C14H20F3N3/c1-2-20(12-6-4-11(18)5-7-12)13-8-3-10(9-19-13)14(15,16)17/h3,8-9,11-12H,2,4-7,18H2,1H3
InChIKeyKBFHRBCBGKTKJD-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.20
Rot. Bonds3

About 4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine

4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine (PubChem CID 79111698) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine
PubChem CID79111698
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine
SMILESCCN(c1ccc(C(F)(F)F)cn1)C1CCC(N)CC1
InChIInChI=1S/C14H20F3N3/c1-2-20(12-6-4-11(18)5-7-12)13-8-3-10(9-19-13)14(15,16)17/h3,8-9,11-12H,2,4-7,18H2,1H3
InChIKeyKBFHRBCBGKTKJD-UHFFFAOYSA-N
XLogP3.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine (CID 79111698) is 4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine is CCN(c1ccc(C(F)(F)F)cn1)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine?
The InChIKey is KBFHRBCBGKTKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-2-20(12-6-4-11(18)5-7-12)13-8-3-10(9-19-13)14(15,16)17/h3,8-9,11-12H,2,4-7,18H2,1H3.
What are the key properties of 4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine?
4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine has a molecular weight of 287.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79111698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).