1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol

C12H23F3N2O — CID 114948261

IUPAC1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCCC(N)C(N(C)CC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-3-9(16)10(12(13,14)15)17(2)8-11(18)6-4-5-7-11/h9-10,18H,3-8,16H2,1-2H3
InChIKeyLPQLYPUXKQOWBZ-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds5

About 1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol

1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114948261) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID114948261
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCCC(N)C(N(C)CC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-3-9(16)10(12(13,14)15)17(2)8-11(18)6-4-5-7-11/h9-10,18H,3-8,16H2,1-2H3
InChIKeyLPQLYPUXKQOWBZ-UHFFFAOYSA-N
XLogP1.89
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol (CID 114948261) is 1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol is CCC(N)C(N(C)CC1(O)CCCC1)C(F)(F)F.
What is the InChIKey of 1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is LPQLYPUXKQOWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-3-9(16)10(12(13,14)15)17(2)8-11(18)6-4-5-7-11/h9-10,18H,3-8,16H2,1-2H3.
What are the key properties of 1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 268.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-amino-1,1,1-trifluoropentan-2-yl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114948261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).