3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol

C10H21F3N2O — CID 114356743

IUPAC3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCN(CC(F)(F)F)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C10H21F3N2O/c1-9(2,3)8(14)7(5-16)15(4)6-10(11,12)13/h7-8,16H,5-6,14H2,1-4H3
InChIKeyXPZKBTNLDNUJCD-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.21
Rot. Bonds4

About 3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol

3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (PubChem CID 114356743) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
PubChem CID114356743
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCN(CC(F)(F)F)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C10H21F3N2O/c1-9(2,3)8(14)7(5-16)15(4)6-10(11,12)13/h7-8,16H,5-6,14H2,1-4H3
InChIKeyXPZKBTNLDNUJCD-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-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

Related Compounds

3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356500
3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol
CID 114356628
3-amino-4,4-dimethyl-2-[methyl(propan-2-yl)amino]pentan-1-ol
CID 114356461
3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114357181
3-amino-2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,4-dimethylpentan-1-ol
CID 105414476
3-amino-2-[cyclopropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356557
3-amino-4,4-dimethyl-2-[methyl(pyridin-2-ylmethyl)amino]pentan-1-ol
CID 114356672
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64898086
3-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 104840399
methyl (2S)-3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanoate
CID 163557686
3-amino-2-[bis(cyclopropylmethyl)amino]-4,4-dimethylpentan-1-ol
CID 114357352
2-amino-3,3-difluorobutan-1-ol;ethane
CID 170584930

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The IUPAC name of 3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol (CID 114356743) is 3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol.
What is the SMILES notation for 3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The canonical SMILES for 3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol is CN(CC(F)(F)F)C(CO)C(N)C(C)(C)C.
What is the InChIKey of 3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The InChIKey is XPZKBTNLDNUJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-9(2,3)8(14)7(5-16)15(4)6-10(11,12)13/h7-8,16H,5-6,14H2,1-4H3.
What are the key properties of 3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol has a molecular weight of 242.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-2-[methyl(2,2,2-trifluoroethyl)amino]pentan-1-ol is sourced from PubChem (CID 114356743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).