N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid

C14H24F3NO2 — CID 46832469

IUPACN-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid
SMILESC1CCC(NC2CCCCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H23N.C2HF3O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3-2(4,5)1(6)7/h11-13H,1-10H2;(H,6,7)
InChIKeyRNTRKRXLUUYBHE-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.87
Rot. Bonds2

About N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid

N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid (PubChem CID 46832469) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid
PubChem CID46832469
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC NameN-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid
SMILESC1CCC(NC2CCCCC2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H23N.C2HF3O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3-2(4,5)1(6)7/h11-13H,1-10H2;(H,6,7)
InChIKeyRNTRKRXLUUYBHE-UHFFFAOYSA-N
XLogP3.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid (CID 46832469) is N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid is C1CCC(NC2CCCCC2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid?
The InChIKey is RNTRKRXLUUYBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C2HF3O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;3-2(4,5)1(6)7/h11-13H,1-10H2;(H,6,7).
What are the key properties of N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid?
N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid has a molecular weight of 295.34 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46832469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).