2-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol

C17H32F3NO — CID 69368116

IUPAC2-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol
SMILESCCCCCCN(CCCCC)C1CCCC1(O)C(F)(F)F
InChIInChI=1S/C17H32F3NO/c1-3-5-7-9-14-21(13-8-6-4-2)15-11-10-12-16(15,22)17(18,19)20/h15,22H,3-14H2,1-2H3
InChIKeyLJXBUFTWBHVGTA-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.90
Rot. Bonds10

About 2-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol

2-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol (PubChem CID 69368116) has the molecular formula C17H32F3NO and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol
PubChem CID69368116
Molecular FormulaC17H32F3NO
Molecular Weight323.44 g/mol
Exact Mass323.24
IUPAC Name2-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol
SMILESCCCCCCN(CCCCC)C1CCCC1(O)C(F)(F)F
InChIInChI=1S/C17H32F3NO/c1-3-5-7-9-14-21(13-8-6-4-2)15-11-10-12-16(15,22)17(18,19)20/h15,22H,3-14H2,1-2H3
InChIKeyLJXBUFTWBHVGTA-UHFFFAOYSA-N
XLogP4.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
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-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol?
The IUPAC name of 2-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol (CID 69368116) is 2-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol.
What is the SMILES notation for 2-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol?
The canonical SMILES for 2-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol is CCCCCCN(CCCCC)C1CCCC1(O)C(F)(F)F.
What is the InChIKey of 2-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol?
The InChIKey is LJXBUFTWBHVGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F3NO/c1-3-5-7-9-14-21(13-8-6-4-2)15-11-10-12-16(15,22)17(18,19)20/h15,22H,3-14H2,1-2H3.
What are the key properties of 2-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol?
2-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol has a molecular weight of 323.44 g/mol, XLogP of 4.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexyl(pentyl)amino]-1-(trifluoromethyl)cyclopentan-1-ol is sourced from PubChem (CID 69368116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).