N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C11H20F3NO — CID 115709221

IUPACN-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(NCCCOCC(F)(F)F)C1(C)CC1
InChIInChI=1S/C11H20F3NO/c1-9(10(2)4-5-10)15-6-3-7-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyOVNWTZWXJLNRJM-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds7

About N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 115709221) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID115709221
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(NCCCOCC(F)(F)F)C1(C)CC1
InChIInChI=1S/C11H20F3NO/c1-9(10(2)4-5-10)15-6-3-7-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyOVNWTZWXJLNRJM-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
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-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 115709221) is N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is CC(NCCCOCC(F)(F)F)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is OVNWTZWXJLNRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(10(2)4-5-10)15-6-3-7-16-8-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 115709221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).