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

C13H22F3NO — CID 102641252

IUPACN-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
SMILESC=CC(C)(CCCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C13H22F3NO/c1-3-12(2,9-17-11-5-6-11)7-4-8-18-10-13(14,15)16/h3,11,17H,1,4-10H2,2H3
InChIKeyOHWWGEDKGYCCMH-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.29
Rot. Bonds9

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

N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine (PubChem CID 102641252) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
PubChem CID102641252
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
SMILESC=CC(C)(CCCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C13H22F3NO/c1-3-12(2,9-17-11-5-6-11)7-4-8-18-10-13(14,15)16/h3,11,17H,1,4-10H2,2H3
InChIKeyOHWWGEDKGYCCMH-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
CID 62724547
2-ethenyl-N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640599
2-ethenyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640930
2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102641085
2-ethenyl-2-methyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641092
N-tert-butyl-2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641423
2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641588
2-ethenyl-N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102641758
2-ethenyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 113719590
N-[2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-enyl]cyclopropanamine
CID 113719679
2-ethenyl-5-ethoxy-N-ethyl-2-methylpentan-1-amine
CID 102640688
2-ethenyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
CID 102640744

Frequently Asked Questions

What is the IUPAC name of N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine (CID 102641252) is N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine is C=CC(C)(CCCOCC(F)(F)F)CNC1CC1.
What is the InChIKey of N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
The InChIKey is OHWWGEDKGYCCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-3-12(2,9-17-11-5-6-11)7-4-8-18-10-13(14,15)16/h3,11,17H,1,4-10H2,2H3.
What are the key properties of N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine has a molecular weight of 265.32 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethenyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 102641252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).