4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine

C13H24F3NO — CID 104611406

IUPAC4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1(OC)CCCC1
InChIInChI=1S/C13H24F3NO/c1-3-10-17-11(6-9-13(14,15)16)12(18-2)7-4-5-8-12/h11,17H,3-10H2,1-2H3
InChIKeyJNRSVMLIBONSHR-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.66
Rot. Bonds7

About 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine

4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine (PubChem CID 104611406) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine
PubChem CID104611406
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1(OC)CCCC1
InChIInChI=1S/C13H24F3NO/c1-3-10-17-11(6-9-13(14,15)16)12(18-2)7-4-5-8-12/h11,17H,3-10H2,1-2H3
InChIKeyJNRSVMLIBONSHR-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
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-methyl-1-[1-(2,2,2-trifluoroethoxy)cyclopentyl]methanamine
CID 62110920
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine
CID 62111088
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine
CID 62111089
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111090
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]cyclopropanamine
CID 62111091
2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111254
1-cyclopentyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63827468
1-cyclopentyl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65803022
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine
CID 66275087
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine
CID 66275300

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine (CID 104611406) is 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)C1(OC)CCCC1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine?
The InChIKey is JNRSVMLIBONSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-10-17-11(6-9-13(14,15)16)12(18-2)7-4-5-8-12/h11,17H,3-10H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine?
4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-methoxycyclopentyl)-N-propylbutan-1-amine is sourced from PubChem (CID 104611406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).