5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine

C12H22F3NO — CID 104610945

IUPAC5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)C1(OC)CCCC1
InChIInChI=1S/C12H22F3NO/c1-16-10(6-5-9-12(13,14)15)11(17-2)7-3-4-8-11/h10,16H,3-9H2,1-2H3
InChIKeyGBVMIEJJACTFKA-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds6

About 5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine

5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine (PubChem CID 104610945) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine
PubChem CID104610945
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)C1(OC)CCCC1
InChIInChI=1S/C12H22F3NO/c1-16-10(6-5-9-12(13,14)15)11(17-2)7-3-4-8-11/h10,16H,3-9H2,1-2H3
InChIKeyGBVMIEJJACTFKA-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110413
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111090
2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111254
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]propan-2-amine
CID 66275941
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-2-amine
CID 66276385
6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine
CID 79197558
4,4,4-trifluoro-N-methyl-1-(2-methyloxolan-2-yl)butan-1-amine
CID 80174783
4,4,4-trifluoro-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine
CID 80685374
N-[[1-(2,2-difluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 82006256
N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]-2-methylpropan-2-amine
CID 82006372
N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 82006852

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine (CID 104610945) is 5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine is CNC(CCCC(F)(F)F)C1(OC)CCCC1.
What is the InChIKey of 5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine?
The InChIKey is GBVMIEJJACTFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-16-10(6-5-9-12(13,14)15)11(17-2)7-3-4-8-11/h10,16H,3-9H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine?
5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1-methoxycyclopentyl)-N-methylpentan-1-amine is sourced from PubChem (CID 104610945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).