4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol

C13H24F3NO — CID 64753867

IUPAC4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
SMILESCC(C)CC(CO)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-9(2)7-12(8-18)17-11-5-3-10(4-6-11)13(14,15)16/h9-12,17-18H,3-8H2,1-2H3
InChIKeyAEPGHBSDTLNYRC-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.10
Rot. Bonds5

About 4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol

4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol (PubChem CID 64753867) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
PubChem CID64753867
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
SMILESCC(C)CC(CO)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-9(2)7-12(8-18)17-11-5-3-10(4-6-11)13(14,15)16/h9-12,17-18H,3-8H2,1-2H3
InChIKeyAEPGHBSDTLNYRC-UHFFFAOYSA-N
XLogP3.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol (CID 64753867) is 4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol is CC(C)CC(CO)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
The InChIKey is AEPGHBSDTLNYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-9(2)7-12(8-18)17-11-5-3-10(4-6-11)13(14,15)16/h9-12,17-18H,3-8H2,1-2H3.
What are the key properties of 4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol is sourced from PubChem (CID 64753867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).