N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine

C14H26F3NO — CID 62111092

IUPACN-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCC(F)(F)F)CCC(CC)CC1
InChIInChI=1S/C14H26F3NO/c1-3-9-18-10-13(19-11-14(15,16)17)7-5-12(4-2)6-8-13/h12,18H,3-11H2,1-2H3
InChIKeyQWGGZXBYOLDDDE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds7

About N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine

N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine (PubChem CID 62111092) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
PubChem CID62111092
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OCC(F)(F)F)CCC(CC)CC1
InChIInChI=1S/C14H26F3NO/c1-3-9-18-10-13(19-11-14(15,16)17)7-5-12(4-2)6-8-13/h12,18H,3-11H2,1-2H3
InChIKeyQWGGZXBYOLDDDE-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine (CID 62111092) is N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine is CCCNCC1(OCC(F)(F)F)CCC(CC)CC1.
What is the InChIKey of N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine?
The InChIKey is QWGGZXBYOLDDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-9-18-10-13(19-11-14(15,16)17)7-5-12(4-2)6-8-13/h12,18H,3-11H2,1-2H3.
What are the key properties of N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine?
N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 62111092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).