1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine

C16H30F3NO — CID 116771868

IUPAC1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)C(OC)C1CCCCC1
InChIInChI=1S/C16H30F3NO/c1-3-12-20-14(10-7-11-16(17,18)19)15(21-2)13-8-5-4-6-9-13/h13-15,20H,3-12H2,1-2H3
InChIKeyFWWKNOAOAVMGIZ-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.68
Rot. Bonds9

About 1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine

1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine (PubChem CID 116771868) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is 1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine
PubChem CID116771868
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC Name1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)C(OC)C1CCCCC1
InChIInChI=1S/C16H30F3NO/c1-3-12-20-14(10-7-11-16(17,18)19)15(21-2)13-8-5-4-6-9-13/h13-15,20H,3-12H2,1-2H3
InChIKeyFWWKNOAOAVMGIZ-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine 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-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine?
The IUPAC name of 1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine (CID 116771868) is 1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine.
What is the SMILES notation for 1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine?
The canonical SMILES for 1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine is CCCNC(CCCC(F)(F)F)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine?
The InChIKey is FWWKNOAOAVMGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-3-12-20-14(10-7-11-16(17,18)19)15(21-2)13-8-5-4-6-9-13/h13-15,20H,3-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine?
1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine has a molecular weight of 309.42 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6,6,6-trifluoro-1-methoxy-N-propylhexan-2-amine is sourced from PubChem (CID 116771868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).