N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine

C15H28F3NO — CID 81025570

IUPACN-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-2-19-11-14-8-5-3-4-7-13(14)9-6-10-20-12-15(16,17)18/h13-14,19H,2-12H2,1H3
InChIKeyVWETTWVJIOBQKG-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.15
Rot. Bonds8

About N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine

N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine (PubChem CID 81025570) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine
PubChem CID81025570
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1CCCOCC(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-2-19-11-14-8-5-3-4-7-13(14)9-6-10-20-12-15(16,17)18/h13-14,19H,2-12H2,1H3
InChIKeyVWETTWVJIOBQKG-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
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-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine
CID 103415943
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine
CID 81033222
N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine
CID 81033298
N-[(2-decylcyclohexyl)methyl]ethanamine
CID 81027246
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methyl]ethanamine
CID 62581283
N-[[2-(propoxymethyl)cycloheptyl]methyl]ethanamine
CID 81025294
1-[2-[3-(2-methoxyethoxy)propyl]cyclohexyl]-N-methylmethanamine
CID 103415921
N-[[2-(3-ethylsulfonylpropyl)cyclopentyl]methyl]ethanamine
CID 81034450
N-[[2-(2-iodoethyl)cyclopentyl]methyl]ethanamine
CID 156566247
N-methyl-4-[3-(2,2,2-trifluoroethoxy)propyl]thiolan-3-amine
CID 83196931
N-[[2-(3-methylsulfonylpropyl)cyclopentyl]methyl]ethanamine
CID 81034800

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine (CID 81025570) is N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine is CCNCC1CCCCCC1CCCOCC(F)(F)F.
What is the InChIKey of N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine?
The InChIKey is VWETTWVJIOBQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-2-19-11-14-8-5-3-4-7-13(14)9-6-10-20-12-15(16,17)18/h13-14,19H,2-12H2,1H3.
What are the key properties of N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine?
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine has a molecular weight of 295.39 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 81025570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).