1-Amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol

C11H23F3N2O — CID 64822018

IUPAC1-amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
SMILESCCCN(CCCC(C)(CN)O)CC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-3-6-16(9-11(12,13)14)7-4-5-10(2,17)8-15/h17H,3-9,15H2,1-2H3
InChIKeyCFRQZQRRXQLYJR-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.60
Rot. Bonds8

About 1-Amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol

1-Amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol (PubChem CID 64822018) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-Amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
PubChem CID64822018
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name1-amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
SMILESCCCN(CCCC(C)(CN)O)CC(F)(F)F
InChIInChI=1S/C11H23F3N2O/c1-3-6-16(9-11(12,13)14)7-4-5-10(2,17)8-15/h17H,3-9,15H2,1-2H3
InChIKeyCFRQZQRRXQLYJR-UHFFFAOYSA-N
XLogP1.60
TPSA49.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity211

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,3-Difluoro-2,4-dimethyl-1-(methylamino)pentan-2-ol
CID 156547546
1-Amino-2-cyclopropyl-3-[propyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 64818664
1-Amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 64819774
1-Amino-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
CID 64819997
1-Amino-2-methyl-6-[methyl(2,2,2-trifluoroethyl)amino]hexan-2-ol
CID 64819999
1-Amino-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
CID 64820222
1-Amino-2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 64820224
1-Amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol
CID 64820458
1-Amino-2-methyl-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]hexan-2-ol
CID 64820460
1-Amino-2-methyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-2-ol
CID 64820680
1-Amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutan-2-ol
CID 64820683
1-Amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-2-ol
CID 64820899

Frequently Asked Questions

What is the IUPAC name of 1-Amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The IUPAC name of 1-Amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol (CID 64822018) is 1-amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol.
What is the SMILES notation for 1-Amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The canonical SMILES for 1-Amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol is CCCN(CCCC(C)(CN)O)CC(F)(F)F.
What is the InChIKey of 1-Amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The InChIKey is CFRQZQRRXQLYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-3-6-16(9-11(12,13)14)7-4-5-10(2,17)8-15/h17H,3-9,15H2,1-2H3.
What are the key properties of 1-Amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
1-Amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol has a molecular weight of 256.31 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Amino-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentan-2-ol is sourced from PubChem (CID 64822018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).