2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

C12H23F3N2 — CID 55093975

IUPAC2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCCCN(CC1CCCCC1N)CC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-2-7-17(9-12(13,14)15)8-10-5-3-4-6-11(10)16/h10-11H,2-9,16H2,1H3
InChIKeyWSEPLWFHXXKLNP-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.78
Rot. Bonds5

About 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 55093975) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
PubChem CID55093975
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCCCN(CC1CCCCC1N)CC(F)(F)F
InChIInChI=1S/C12H23F3N2/c1-2-7-17(9-12(13,14)15)8-10-5-3-4-6-11(10)16/h10-11H,2-9,16H2,1H3
InChIKeyWSEPLWFHXXKLNP-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (CID 55093975) is 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is CCCN(CC1CCCCC1N)CC(F)(F)F.
What is the InChIKey of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is WSEPLWFHXXKLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-2-7-17(9-12(13,14)15)8-10-5-3-4-6-11(10)16/h10-11H,2-9,16H2,1H3.
What are the key properties of 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 55093975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).