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

C15H26F3NO — CID 79123713

IUPAC1-[1-(aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1CCCC(CN)(C2(O)CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C15H26F3NO/c1-11-4-2-6-13(8-11,10-19)14(20)7-3-5-12(9-14)15(16,17)18/h11-12,20H,2-10,19H2,1H3
InChIKeyBCKJNGDRWPHKMK-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.63
Rot. Bonds2

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

1-[1-(aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79123713) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79123713
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name1-[1-(aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1CCCC(CN)(C2(O)CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C15H26F3NO/c1-11-4-2-6-13(8-11,10-19)14(20)7-3-5-12(9-14)15(16,17)18/h11-12,20H,2-10,19H2,1H3
InChIKeyBCKJNGDRWPHKMK-UHFFFAOYSA-N
XLogP3.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol (CID 79123713) is 1-[1-(aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol is CC1CCCC(CN)(C2(O)CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is BCKJNGDRWPHKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-11-4-2-6-13(8-11,10-19)14(20)7-3-5-12(9-14)15(16,17)18/h11-12,20H,2-10,19H2,1H3.
What are the key properties of 1-[1-(aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol?
1-[1-(aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 293.37 g/mol, XLogP of 3.63, 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-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79123713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).