4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol

C14H26F3NO — CID 102609773

IUPAC4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
SMILESCC(C)(CCCO)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-13(2,7-4-8-19)10-18-12-6-3-5-11(9-12)14(15,16)17/h11-12,18-19H,3-10H2,1-2H3
InChIKeyDRMGYZCLYJBWQJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.50
Rot. Bonds6

About 4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol

4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol (PubChem CID 102609773) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
PubChem CID102609773
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
SMILESCC(C)(CCCO)CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H26F3NO/c1-13(2,7-4-8-19)10-18-12-6-3-5-11(9-12)14(15,16)17/h11-12,18-19H,3-10H2,1-2H3
InChIKeyDRMGYZCLYJBWQJ-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-tert-butylcycloheptyl)amino]-4,4-dimethylpentan-1-ol
CID 106144752
5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
CID 107302816
4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 102609647
2-N,2-N,2-trimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]propane-1,2-diamine
CID 64756963
(2R)-1-(dimethylamino)-2-methyl-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 99627947
3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 113492081
4,4-dimethyl-5-(thietan-3-ylamino)pentan-1-ol
CID 135393428
N-(2-methylprop-2-enyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 114615558
(2S)-2-(furan-2-yl)-1-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]propan-2-ol
CID 100643068
5-[(2,3-dimethylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
CID 113368941
1-cyclobutyl-3-(5-hydroxy-2,2-dimethylpentyl)urea
CID 103899088
[(1R,3S)-3-(trifluoromethyl)cyclohexyl]hydrazine
CID 124506889

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
The IUPAC name of 4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol (CID 102609773) is 4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
The canonical SMILES for 4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol is CC(C)(CCCO)CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
The InChIKey is DRMGYZCLYJBWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-13(2,7-4-8-19)10-18-12-6-3-5-11(9-12)14(15,16)17/h11-12,18-19H,3-10H2,1-2H3.
What are the key properties of 4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5-[[3-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol is sourced from PubChem (CID 102609773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).