[2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol

C13H25F3N2O — CID 106359935

IUPAC[2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol
SMILESCC(CN)(CCCC(F)(F)F)NC1CCCC1CO
InChIInChI=1S/C13H25F3N2O/c1-12(9-17,6-3-7-13(14,15)16)18-11-5-2-4-10(11)8-19/h10-11,18-19H,2-9,17H2,1H3
InChIKeyBNYUUIKFTKFVHF-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.19
Rot. Bonds7

About [2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol

[2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol (PubChem CID 106359935) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is [2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol
PubChem CID106359935
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name[2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol
SMILESCC(CN)(CCCC(F)(F)F)NC1CCCC1CO
InChIInChI=1S/C13H25F3N2O/c1-12(9-17,6-3-7-13(14,15)16)18-11-5-2-4-10(11)8-19/h10-11,18-19H,2-9,17H2,1H3
InChIKeyBNYUUIKFTKFVHF-UHFFFAOYSA-N
XLogP2.19
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol?
The IUPAC name of [2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol (CID 106359935) is [2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol is CC(CN)(CCCC(F)(F)F)NC1CCCC1CO.
What is the InChIKey of [2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol?
The InChIKey is BNYUUIKFTKFVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-12(9-17,6-3-7-13(14,15)16)18-11-5-2-4-10(11)8-19/h10-11,18-19H,2-9,17H2,1H3.
What are the key properties of [2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol?
[2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol has a molecular weight of 282.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-amino-6,6,6-trifluoro-2-methylhexan-2-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 106359935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).