N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine

C10H18F3NO — CID 66024435

IUPACN-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine
SMILESCNCC1(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-14-7-9(4-5-9)3-2-6-15-8-10(11,12)13/h14H,2-8H2,1H3
InChIKeyCIIVFBXRAYPXCJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.35
Rot. Bonds7

About N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine

N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine (PubChem CID 66024435) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine
PubChem CID66024435
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine
SMILESCNCC1(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-14-7-9(4-5-9)3-2-6-15-8-10(11,12)13/h14H,2-8H2,1H3
InChIKeyCIIVFBXRAYPXCJ-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.35
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-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine (CID 66024435) is N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine is CNCC1(CCCOCC(F)(F)F)CC1.
What is the InChIKey of N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine?
The InChIKey is CIIVFBXRAYPXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-14-7-9(4-5-9)3-2-6-15-8-10(11,12)13/h14H,2-8H2,1H3.
What are the key properties of N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine?
N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine has a molecular weight of 225.25 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanamine is sourced from PubChem (CID 66024435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).