2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile

C10H18F3N3O — CID 106147696

IUPAC2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCN(C)CC(C)(O)CNCC(C#N)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-9(17,7-16(2)3)6-15-5-8(4-14)10(11,12)13/h8,15,17H,5-7H2,1-3H3
InChIKeyGOHKKDPZIXGNCA-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.59
Rot. Bonds6

About 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile

2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 106147696) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID106147696
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile
SMILESCN(C)CC(C)(O)CNCC(C#N)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c1-9(17,7-16(2)3)6-15-5-8(4-14)10(11,12)13/h8,15,17H,5-7H2,1-3H3
InChIKeyGOHKKDPZIXGNCA-UHFFFAOYSA-N
XLogP0.59
TPSA59.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile with MolForge

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Related Compounds

1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 106147817
1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol
CID 114150038
N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide
CID 103367047
3,3,3-trifluoro-2-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]propanenitrile
CID 103367626
1-(dimethylamino)-3-[2-(dimethylamino)ethylamino]-2-methylpropan-2-ol
CID 106147764
3,3,3-trifluoro-2-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]propanenitrile
CID 103367343
methyl 2-[(2-cyano-3,3,3-trifluoropropyl)amino]acetate
CID 103366879
3-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-2-fluorobenzonitrile
CID 106147485
3,3,3-trifluoro-2-[(5-methylhexylamino)methyl]propanenitrile
CID 103367461
3,3,3-trifluoro-2-[[(3-hydroxycyclobutyl)methylamino]methyl]propanenitrile
CID 103367367
1-(3-aminopropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145231
1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol
CID 106147594

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile (CID 106147696) is 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile is CN(C)CC(C)(O)CNCC(C#N)C(F)(F)F.
What is the InChIKey of 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is GOHKKDPZIXGNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c1-9(17,7-16(2)3)6-15-5-8(4-14)10(11,12)13/h8,15,17H,5-7H2,1-3H3.
What are the key properties of 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile?
2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 253.27 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 106147696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).