N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine

C15H28F3NO — CID 82788586

IUPACN-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(OCCCC(F)(F)F)C1
InChIInChI=1S/C15H28F3NO/c1-3-6-12-7-8-13(19-4-2)14(11-12)20-10-5-9-15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyUGSDXYHXECLMIK-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.29
Rot. Bonds8

About N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine

N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine (PubChem CID 82788586) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine
PubChem CID82788586
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine
SMILESCCCC1CCC(NCC)C(OCCCC(F)(F)F)C1
InChIInChI=1S/C15H28F3NO/c1-3-6-12-7-8-13(19-4-2)14(11-12)20-10-5-9-15(16,17)18/h12-14,19H,3-11H2,1-2H3
InChIKeyUGSDXYHXECLMIK-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.29
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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Related Compounds

N-ethyl-2-octoxy-4-propylcyclohexan-1-amine
CID 63474035
4-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-ol
CID 82957761
N-ethyl-2-(oxan-4-ylmethoxy)-4-propylcyclohexan-1-amine
CID 62384259
N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine
CID 103283501
N-ethyl-2-(3,3,3-trifluoropropoxy)cyclopentan-1-amine
CID 82954260
2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine
CID 114157425
2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine
CID 106447149
N-methyl-4-propan-2-yl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine
CID 82790043
4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
2-(2-cyclopropylethoxy)-N-ethylcyclododecan-1-amine
CID 106200788
2-(2-cyclopropylethoxy)-N-ethylcyclooctan-1-amine
CID 106200627
4-propan-2-yl-N-propyl-2-(3,3,3-trifluoropropoxy)cyclohexan-1-amine
CID 82954256

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine (CID 82788586) is N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine is CCCC1CCC(NCC)C(OCCCC(F)(F)F)C1.
What is the InChIKey of N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine?
The InChIKey is UGSDXYHXECLMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-3-6-12-7-8-13(19-4-2)14(11-12)20-10-5-9-15(16,17)18/h12-14,19H,3-11H2,1-2H3.
What are the key properties of N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine?
N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine is sourced from PubChem (CID 82788586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).