1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine

C10H19F3N2 — CID 65072974

IUPAC1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine
SMILESCCN1CCCC(NCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c1-2-15-6-3-4-9(5-7-15)14-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyXICGEAZXOKAAIG-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.01
Rot. Bonds3

About 1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine

1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine (PubChem CID 65072974) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine
PubChem CID65072974
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine
SMILESCCN1CCCC(NCC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2/c1-2-15-6-3-4-9(5-7-15)14-8-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyXICGEAZXOKAAIG-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
The IUPAC name of 1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine (CID 65072974) is 1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine.
What is the SMILES notation for 1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
The canonical SMILES for 1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine is CCN1CCCC(NCC(F)(F)F)CC1.
What is the InChIKey of 1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
The InChIKey is XICGEAZXOKAAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-2-15-6-3-4-9(5-7-15)14-8-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of 1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine?
1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine has a molecular weight of 224.27 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2,2,2-trifluoroethyl)azepan-4-amine is sourced from PubChem (CID 65072974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).