1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine

C8H15F3N2 — CID 61151029

IUPAC1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine
SMILESNC1(CNCC(F)(F)F)CCCC1
InChIInChI=1S/C8H15F3N2/c9-8(10,11)6-13-5-7(12)3-1-2-4-7/h13H,1-6,12H2
InChIKeyMYYVFDGYHGZFRX-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.41
Rot. Bonds3

About 1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine

1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine (PubChem CID 61151029) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine
PubChem CID61151029
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine
SMILESNC1(CNCC(F)(F)F)CCCC1
InChIInChI=1S/C8H15F3N2/c9-8(10,11)6-13-5-7(12)3-1-2-4-7/h13H,1-6,12H2
InChIKeyMYYVFDGYHGZFRX-UHFFFAOYSA-N
XLogP1.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine (CID 61151029) is 1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine is NC1(CNCC(F)(F)F)CCCC1.
What is the InChIKey of 1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine?
The InChIKey is MYYVFDGYHGZFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c9-8(10,11)6-13-5-7(12)3-1-2-4-7/h13H,1-6,12H2.
What are the key properties of 1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine?
1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine has a molecular weight of 196.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2,2-trifluoroethylamino)methyl]cyclopentan-1-amine is sourced from PubChem (CID 61151029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).