3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

C13H22F3NO — CID 165490691

IUPAC3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCN(C1CCCC1)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-17(9-4-2-3-5-9)12-8-10(18)6-7-11(12)13(14,15)16/h9-12,18H,2-8H2,1H3
InChIKeyNYQCSASBEYEQMA-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.95
Rot. Bonds2

About 3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490691) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490691
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCN(C1CCCC1)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-17(9-4-2-3-5-9)12-8-10(18)6-7-11(12)13(14,15)16/h9-12,18H,2-8H2,1H3
InChIKeyNYQCSASBEYEQMA-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[(2-Methoxyethyl)(propan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490684
3-[(2-Ethoxyethyl)(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490685
3-[Cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490687
3-[Cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490688
3-[Methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490689
3-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490690
3-[Methyl(2-methylbutan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490692
3-[(Propan-2-yl)(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490693
3-[(3-Methoxypropyl)(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490694
3-(4,4-Dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490696
3-[Cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490697

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490691) is 3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is CN(C1CCCC1)C1CC(O)CCC1C(F)(F)F.
What is the InChIKey of 3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is NYQCSASBEYEQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-17(9-4-2-3-5-9)12-8-10(18)6-7-11(12)13(14,15)16/h9-12,18H,2-8H2,1H3.
What are the key properties of 3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 265.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).