N-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine

C13H24F3NO — CID 104749583

IUPACN-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
SMILESCCCNC(COC(C)C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H24F3NO/c1-3-8-17-12(11-6-4-5-7-11)9-18-10(2)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyWNIIGUOKPSKPEU-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds7

About N-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine

N-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine (PubChem CID 104749583) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
PubChem CID104749583
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
SMILESCCCNC(COC(C)C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H24F3NO/c1-3-8-17-12(11-6-4-5-7-11)9-18-10(2)13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyWNIIGUOKPSKPEU-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Cyclopentyl-6-(trifluoromethyl)morpholine
CID 73994595
(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
CID 20648533
5-fluoro-N,2,4,6-tetramethyloxan-3-amine
CID 59938453
2-(Cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
CID 70229370
(2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
CID 70229372
trans-(1R,6S)-2,2-difluoro-6-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]oxymethyl]cyclohexan-1-amine
CID 156429707
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N-[[4-methyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 55036775
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine
CID 55106985

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine (CID 104749583) is N-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine is CCCNC(COC(C)C(F)(F)F)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine?
The InChIKey is WNIIGUOKPSKPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-8-17-12(11-6-4-5-7-11)9-18-10(2)13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of N-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine?
N-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine is sourced from PubChem (CID 104749583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).