2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C9H17F3N2O — CID 82711480

IUPAC2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESNCC1CCCCC1NOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)6-15-14-8-4-2-1-3-7(8)5-13/h7-8,14H,1-6,13H2
InChIKeyZBDVRGXFEAVTRM-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.59
Rot. Bonds4

About 2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 82711480) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID82711480
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESNCC1CCCCC1NOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)6-15-14-8-4-2-1-3-7(8)5-13/h7-8,14H,1-6,13H2
InChIKeyZBDVRGXFEAVTRM-UHFFFAOYSA-N
XLogP1.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 82711480) is 2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is NCC1CCCCC1NOCC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is ZBDVRGXFEAVTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)6-15-14-8-4-2-1-3-7(8)5-13/h7-8,14H,1-6,13H2.
What are the key properties of 2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 226.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 82711480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).