2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C13H24F3NO — CID 106706209

IUPAC2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(C)NCC(COCC(F)(F)F)C1CCCC1
InChIInChI=1S/C13H24F3NO/c1-10(2)17-7-12(11-5-3-4-6-11)8-18-9-13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyIYEMGTYLSMDSET-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds7

About 2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine

2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 106706209) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID106706209
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(C)NCC(COCC(F)(F)F)C1CCCC1
InChIInChI=1S/C13H24F3NO/c1-10(2)17-7-12(11-5-3-4-6-11)8-18-9-13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyIYEMGTYLSMDSET-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961770
2-methyl-N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961771
N-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961820
N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 54961821
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine
CID 54962390
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200
4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55083489
N-ethyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084137
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095373

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 106706209) is 2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CC(C)NCC(COCC(F)(F)F)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is IYEMGTYLSMDSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10(2)17-7-12(11-5-3-4-6-11)8-18-9-13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of 2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 106706209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).