1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine

C14H27F3N2 — CID 115517235

IUPAC1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCNC(CCCC(F)(F)F)C1(N(C)C)CCCC1
InChIInChI=1S/C14H27F3N2/c1-4-18-12(8-7-11-14(15,16)17)13(19(2)3)9-5-6-10-13/h12,18H,4-11H2,1-3H3
InChIKeyXHKZEGSBQNKPJQ-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.57
Rot. Bonds7

About 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine

1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 115517235) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID115517235
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine
SMILESCCNC(CCCC(F)(F)F)C1(N(C)C)CCCC1
InChIInChI=1S/C14H27F3N2/c1-4-18-12(8-7-11-14(15,16)17)13(19(2)3)9-5-6-10-13/h12,18H,4-11H2,1-3H3
InChIKeyXHKZEGSBQNKPJQ-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine (CID 115517235) is 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine is CCNC(CCCC(F)(F)F)C1(N(C)C)CCCC1.
What is the InChIKey of 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is XHKZEGSBQNKPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-4-18-12(8-7-11-14(15,16)17)13(19(2)3)9-5-6-10-13/h12,18H,4-11H2,1-3H3.
What are the key properties of 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine?
1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 115517235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).