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

C16H30F3NO — CID 66274869

IUPACN-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(CNC(C)(C)C)(OC(C)C(F)(F)F)CC1
InChIInChI=1S/C16H30F3NO/c1-6-13-7-9-15(10-8-13,11-20-14(3,4)5)21-12(2)16(17,18)19/h12-13,20H,6-11H2,1-5H3
InChIKeyAOXIXYHTMRGERL-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.68
Rot. Bonds5

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

N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 66274869) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID66274869
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC NameN-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(CNC(C)(C)C)(OC(C)C(F)(F)F)CC1
InChIInChI=1S/C16H30F3NO/c1-6-13-7-9-15(10-8-13,11-20-14(3,4)5)21-12(2)16(17,18)19/h12-13,20H,6-11H2,1-5H3
InChIKeyAOXIXYHTMRGERL-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.68
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]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]-2-methylpropan-2-amine (CID 66274869) is N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]-2-methylpropan-2-amine is CCC1CCC(CNC(C)(C)C)(OC(C)C(F)(F)F)CC1.
What is the InChIKey of N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is AOXIXYHTMRGERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-6-13-7-9-15(10-8-13,11-20-14(3,4)5)21-12(2)16(17,18)19/h12-13,20H,6-11H2,1-5H3.
What are the key properties of N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 309.42 g/mol, XLogP of 4.68, 5 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]-2-methylpropan-2-amine is sourced from PubChem (CID 66274869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).