N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine

C14H26F3NO — CID 55106597

IUPACN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C14H26F3NO/c1-12(2)18-10-13(6-3-4-7-13)8-5-9-19-11-14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyYICUDTVHXKNLAV-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds8

About N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine

N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 55106597) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine
PubChem CID55106597
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C14H26F3NO/c1-12(2)18-10-13(6-3-4-7-13)8-5-9-19-11-14(15,16)17/h12,18H,3-11H2,1-2H3
InChIKeyYICUDTVHXKNLAV-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
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-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine (CID 55106597) is N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine is CC(C)NCC1(CCCOCC(F)(F)F)CCCC1.
What is the InChIKey of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is YICUDTVHXKNLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-12(2)18-10-13(6-3-4-7-13)8-5-9-19-11-14(15,16)17/h12,18H,3-11H2,1-2H3.
What are the key properties of N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine?
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 55106597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).