N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine

C15H26F3NO — CID 66275298

IUPACN-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)(OC(C)C(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO/c1-3-12-6-8-14(9-7-12,10-19-13-4-5-13)20-11(2)15(16,17)18/h11-13,19H,3-10H2,1-2H3
InChIKeyYIYCBCXWHMFZIE-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.04
Rot. Bonds6

About N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine

N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine (PubChem CID 66275298) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine
PubChem CID66275298
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)(OC(C)C(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO/c1-3-12-6-8-14(9-7-12,10-19-13-4-5-13)20-11(2)15(16,17)18/h11-13,19H,3-10H2,1-2H3
InChIKeyYIYCBCXWHMFZIE-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine (CID 66275298) is N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine is CCC1CCC(CNC2CC2)(OC(C)C(F)(F)F)CC1.
What is the InChIKey of N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine?
The InChIKey is YIYCBCXWHMFZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-3-12-6-8-14(9-7-12,10-19-13-4-5-13)20-11(2)15(16,17)18/h11-13,19H,3-10H2,1-2H3.
What are the key properties of N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine?
N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine has a molecular weight of 293.37 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 66275298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).