5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol

C12H22F3NO — CID 107302816

IUPAC5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
SMILESOCCCCCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-5-4-6-11(9-10)16-7-2-1-3-8-17/h10-11,16-17H,1-9H2
InChIKeySKLDCYGUTAHPQV-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.86
Rot. Bonds6

About 5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol

5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol (PubChem CID 107302816) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
PubChem CID107302816
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
SMILESOCCCCCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-5-4-6-11(9-10)16-7-2-1-3-8-17/h10-11,16-17H,1-9H2
InChIKeySKLDCYGUTAHPQV-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.86
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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Related Compounds

4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 102609773
N-(3-pyrrolidin-1-ylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757364
N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
CID 119043940
6-[(3-aminocyclohexyl)amino]hexan-1-ol
CID 107848750
5-[(3-aminocyclohexyl)amino]pentan-1-ol
CID 107316668
N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103918890
N-(4-imidazol-1-ylbutyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758617
N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 114615558
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 113492081
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 103080784
N-(2-thiomorpholin-4-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 102609632

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
The IUPAC name of 5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol (CID 107302816) is 5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol is OCCCCCNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
The InChIKey is SKLDCYGUTAHPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)10-5-4-6-11(9-10)16-7-2-1-3-8-17/h10-11,16-17H,1-9H2.
What are the key properties of 5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol is sourced from PubChem (CID 107302816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).