N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine

C12H22F3NO — CID 55082869

IUPACN-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
SMILESCCC(CCCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C12H22F3NO/c1-2-10(8-16-11-5-6-11)4-3-7-17-9-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyXWSMQJPDAGKCSQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds9

About N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine

N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine (PubChem CID 55082869) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
PubChem CID55082869
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
SMILESCCC(CCCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C12H22F3NO/c1-2-10(8-16-11-5-6-11)4-3-7-17-9-12(13,14)15/h10-11,16H,2-9H2,1H3
InChIKeyXWSMQJPDAGKCSQ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine with MolForge

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

Launch Full Analysis

Related Compounds

3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine
CID 126619717
N-(2,2-difluoro-4-methylpentyl)-5,5-difluoro-6-methoxy-3-methylhexan-1-amine
CID 132011838
N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine
CID 167012441
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 173861161
N-(1-cyclopropylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748987
N-ethyl-2-methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961770
2-methyl-N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961771
3-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 54961772
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961820
N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961821
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 54961873
N-ethyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55082815

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine (CID 55082869) is N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine is CCC(CCCOCC(F)(F)F)CNC1CC1.
What is the InChIKey of N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
The InChIKey is XWSMQJPDAGKCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-10(8-16-11-5-6-11)4-3-7-17-9-12(13,14)15/h10-11,16H,2-9H2,1H3.
What are the key properties of N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 55082869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).