3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

C14H24F3NO — CID 165490697

IUPAC3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)CN(C1CC1)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-9(2)8-18(10-3-4-10)13-7-11(19)5-6-12(13)14(15,16)17/h9-13,19H,3-8H2,1-2H3
InChIKeyMYIKPWYOGFYKNM-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.20
Rot. Bonds4

About 3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490697) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490697
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)CN(C1CC1)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C14H24F3NO/c1-9(2)8-18(10-3-4-10)13-7-11(19)5-6-12(13)14(15,16)17/h9-13,19H,3-8H2,1-2H3
InChIKeyMYIKPWYOGFYKNM-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094671
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609560
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 62609561
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609735
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 79619095
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

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490697) is 3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is CC(C)CN(C1CC1)C1CC(O)CCC1C(F)(F)F.
What is the InChIKey of 3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is MYIKPWYOGFYKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-9(2)8-18(10-3-4-10)13-7-11(19)5-6-12(13)14(15,16)17/h9-13,19H,3-8H2,1-2H3.
What are the key properties of 3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 279.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).