N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine

C13H24F3NO — CID 66275087

IUPACN-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OC(C)C(F)(F)F)CCCCC1
InChIInChI=1S/C13H24F3NO/c1-10(2)17-9-12(7-5-4-6-8-12)18-11(3)13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyURGQQAAXBDJSCC-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.65
Rot. Bonds5

About N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine

N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine (PubChem CID 66275087) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine
PubChem CID66275087
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(OC(C)C(F)(F)F)CCCCC1
InChIInChI=1S/C13H24F3NO/c1-10(2)17-9-12(7-5-4-6-8-12)18-11(3)13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyURGQQAAXBDJSCC-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine (CID 66275087) is N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(OC(C)C(F)(F)F)CCCCC1.
What is the InChIKey of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine?
The InChIKey is URGQQAAXBDJSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10(2)17-9-12(7-5-4-6-8-12)18-11(3)13(14,15)16/h10-11,17H,4-9H2,1-3H3.
What are the key properties of N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine?
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 66275087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).