2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol

C13H24F3NO2 — CID 66278159

IUPAC2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
SMILESCC(OCCCCC(C)(CO)NC1CC1)C(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-10(13(14,15)16)19-8-4-3-7-12(2,9-18)17-11-5-6-11/h10-11,17-18H,3-9H2,1-2H3
InChIKeySMXIPKJLPDWBCB-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.63
Rot. Bonds9

About 2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol

2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol (PubChem CID 66278159) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
PubChem CID66278159
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
SMILESCC(OCCCCC(C)(CO)NC1CC1)C(F)(F)F
InChIInChI=1S/C13H24F3NO2/c1-10(13(14,15)16)19-8-4-3-7-12(2,9-18)17-11-5-6-11/h10-11,17-18H,3-9H2,1-2H3
InChIKeySMXIPKJLPDWBCB-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Cyclopropylamino)-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-1-ol
CID 64802199
2-(Cyclopropylamino)-2-methyl-4-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64802826
2-Methyl-2-(methylamino)-6-(2,2,2-trifluoroethoxy)hexan-1-ol
CID 64803034
2-Methyl-2-(propan-2-ylamino)-6-(2,2,2-trifluoroethoxy)hexan-1-ol
CID 64803240
2-Methyl-2-(propylamino)-6-(2,2,2-trifluoroethoxy)hexan-1-ol
CID 64803861
2-(Ethylamino)-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-1-ol
CID 64804498
2-(Cyclopropylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 66275123
2-Methyl-2-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66275331
2-Methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66277709
2-(Ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66277710
2-Methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66277941
2-(Cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 66278372

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol (CID 66278159) is 2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol is CC(OCCCCC(C)(CO)NC1CC1)C(F)(F)F.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
The InChIKey is SMXIPKJLPDWBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-10(13(14,15)16)19-8-4-3-7-12(2,9-18)17-11-5-6-11/h10-11,17-18H,3-9H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol is sourced from PubChem (CID 66278159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).