1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol

C14H24F3NO — CID 79126439

IUPAC1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1CCC(CN)(C2(O)CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H24F3NO/c1-10-2-5-12(8-10,9-18)13(19)6-3-11(4-7-13)14(15,16)17/h10-11,19H,2-9,18H2,1H3
InChIKeyHIBRDGAXUCVZHM-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.24
Rot. Bonds2

About 1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol

1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79126439) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79126439
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1CCC(CN)(C2(O)CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H24F3NO/c1-10-2-5-12(8-10,9-18)13(19)6-3-11(4-7-13)14(15,16)17/h10-11,19H,2-9,18H2,1H3
InChIKeyHIBRDGAXUCVZHM-UHFFFAOYSA-N
XLogP3.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 79123952
1-[1-(aminomethyl)-3-methylcyclopentyl]cycloheptan-1-ol
CID 79128862
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-tert-butylcycloheptan-1-ol
CID 79125209
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-methylpiperidin-4-ol
CID 79135647
1-[1-(aminomethyl)cyclobutyl]-3-methylcyclopentan-1-ol
CID 79124196
1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol
CID 79128311
1-[1-(aminomethyl)-3-ethylcyclopentyl]-3-methylcyclopentan-1-ol
CID 79126426
3-[1-(aminomethyl)-3-methylcyclopentyl]pyrrolidin-3-ol
CID 79134673
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylpiperidin-4-ol
CID 79135208
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-propylcyclohexan-1-ol
CID 79126743
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-methylcycloheptan-1-ol
CID 79124842
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol
CID 79124838

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol (CID 79126439) is 1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol is CC1CCC(CN)(C2(O)CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is HIBRDGAXUCVZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-10-2-5-12(8-10,9-18)13(19)6-3-11(4-7-13)14(15,16)17/h10-11,19H,2-9,18H2,1H3.
What are the key properties of 1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol?
1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 279.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-methylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79126439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).