1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol

C13H22F3NO — CID 79125401

IUPAC1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESNCC1(C2(O)CCCC(C(F)(F)F)C2)CCCC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-4-3-7-12(18,8-10)11(9-17)5-1-2-6-11/h10,18H,1-9,17H2
InChIKeyKNJVKWHQLQILMZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.99
Rot. Bonds2

About 1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol

1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79125401) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79125401
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESNCC1(C2(O)CCCC(C(F)(F)F)C2)CCCC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)10-4-3-7-12(18,8-10)11(9-17)5-1-2-6-11/h10,18H,1-9,17H2
InChIKeyKNJVKWHQLQILMZ-UHFFFAOYSA-N
XLogP2.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Aminomethyl)-3,3-difluoro-5,5-dimethylcyclohexan-1-ol
CID 141432210
1-[1-(Aminomethyl)-4-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79123461
1-[1-(Aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79123713
1-[1-(Aminomethyl)-3-ethylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 79123952
1-[1-(Aminomethyl)cyclobutyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79124421
1-[1-(Aminomethyl)cyclobutyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 79125231
1-(1-Aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79125232
1-(1-Amino-2-methylbutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79125402
1-[1-(Aminomethyl)cyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79125578
1-(1-Amino-2-methylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79125579
1-[1-(Aminomethyl)-4,4-dimethylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79125751
1-(2-Aminoethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79125780

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol (CID 79125401) is 1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol is NCC1(C2(O)CCCC(C(F)(F)F)C2)CCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is KNJVKWHQLQILMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)10-4-3-7-12(18,8-10)11(9-17)5-1-2-6-11/h10,18H,1-9,17H2.
What are the key properties of 1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol?
1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 265.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79125401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).