6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol

C15H29F3N2O — CID 64825493

IUPAC6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H29F3N2O/c1-3-9-19-14(2,12-21)8-4-5-10-20(13-6-7-13)11-15(16,17)18/h13,19,21H,3-12H2,1-2H3
InChIKeySMDOURHTWJDTJJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.93
Rot. Bonds11

About 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol

6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol (PubChem CID 64825493) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol.

Molecular Properties

Compound Name6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol
PubChem CID64825493
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol
SMILESCCCNC(C)(CO)CCCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H29F3N2O/c1-3-9-19-14(2,12-21)8-4-5-10-20(13-6-7-13)11-15(16,17)18/h13,19,21H,3-12H2,1-2H3
InChIKeySMDOURHTWJDTJJ-UHFFFAOYSA-N
XLogP2.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol?
The IUPAC name of 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol (CID 64825493) is 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol.
What is the SMILES notation for 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol?
The canonical SMILES for 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol is CCCNC(C)(CO)CCCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol?
The InChIKey is SMDOURHTWJDTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-3-9-19-14(2,12-21)8-4-5-10-20(13-6-7-13)11-15(16,17)18/h13,19,21H,3-12H2,1-2H3.
What are the key properties of 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol?
6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 2.93, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)hexan-1-ol is sourced from PubChem (CID 64825493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).