1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol

C12H22F3NO — CID 64757555

IUPAC1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)CNCC1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-9(2)7-16-8-11(17)5-3-10(4-6-11)12(13,14)15/h9-10,16-17H,3-8H2,1-2H3
InChIKeyKTPITMUXBGWNRV-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.72
Rot. Bonds4

About 1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol

1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64757555) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64757555
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)CNCC1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-9(2)7-16-8-11(17)5-3-10(4-6-11)12(13,14)15/h9-10,16-17H,3-8H2,1-2H3
InChIKeyKTPITMUXBGWNRV-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (CID 64757555) is 1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol is CC(C)CNCC1(O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is KTPITMUXBGWNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(2)7-16-8-11(17)5-3-10(4-6-11)12(13,14)15/h9-10,16-17H,3-8H2,1-2H3.
What are the key properties of 1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64757555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).