N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid

C11H20F3NO2 — CID 174749910

IUPACN-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid
SMILESCC(C)NC1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N.C2HF3O2/c1-8(2)10-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h8-10H,3-7H2,1-2H3;(H,6,7)
InChIKeyYXSPMUGYZMVZPG-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.95
Rot. Bonds2

About N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid

N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid (PubChem CID 174749910) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid
PubChem CID174749910
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid
SMILESCC(C)NC1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N.C2HF3O2/c1-8(2)10-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h8-10H,3-7H2,1-2H3;(H,6,7)
InChIKeyYXSPMUGYZMVZPG-UHFFFAOYSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid (CID 174749910) is N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid is CC(C)NC1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid?
The InChIKey is YXSPMUGYZMVZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2HF3O2/c1-8(2)10-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h8-10H,3-7H2,1-2H3;(H,6,7).
What are the key properties of N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid?
N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid has a molecular weight of 255.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174749910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).