2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol

C13H24F3NO — CID 113460018

IUPAC2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
SMILESCC(CO)CCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-10(9-18)3-2-8-17-12-6-4-11(5-7-12)13(14,15)16/h10-12,17-18H,2-9H2,1H3
InChIKeyAUXCHKUBCFQMSB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.11
Rot. Bonds6

About 2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol

2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol (PubChem CID 113460018) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
PubChem CID113460018
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
SMILESCC(CO)CCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-10(9-18)3-2-8-17-12-6-4-11(5-7-12)13(14,15)16/h10-12,17-18H,2-9H2,1H3
InChIKeyAUXCHKUBCFQMSB-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
The IUPAC name of 2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol (CID 113460018) is 2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
The canonical SMILES for 2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol is CC(CO)CCCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
The InChIKey is AUXCHKUBCFQMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10(9-18)3-2-8-17-12-6-4-11(5-7-12)13(14,15)16/h10-12,17-18H,2-9H2,1H3.
What are the key properties of 2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol is sourced from PubChem (CID 113460018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).