3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol

C9H17F3N2O — CID 116652889

IUPAC3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCN(CC(O)C(F)(F)F)C(CN)C1CC1
InChIInChI=1S/C9H17F3N2O/c1-14(5-8(15)9(10,11)12)7(4-13)6-2-3-6/h6-8,15H,2-5,13H2,1H3
InChIKeyOJTGJVDVLHFSAF-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.58
Rot. Bonds5

About 3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol

3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 116652889) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID116652889
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCN(CC(O)C(F)(F)F)C(CN)C1CC1
InChIInChI=1S/C9H17F3N2O/c1-14(5-8(15)9(10,11)12)7(4-13)6-2-3-6/h6-8,15H,2-5,13H2,1H3
InChIKeyOJTGJVDVLHFSAF-UHFFFAOYSA-N
XLogP0.58
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(1-cyclopropylethyl)-3,3,3-trifluoro-2-N-(2-methoxyethyl)propane-1,2-diamine
CID 55004003
2-[(3-Amino-1,1,1-trifluoropentan-2-yl)-butylamino]ethanol
CID 61647762
2-N-(1-cyclopropylethyl)-1,1,1-trifluoro-2-N-(2-methoxyethyl)butane-2,3-diamine
CID 61647821
2-N-(1-cyclopropylethyl)-1,1,1-trifluoro-2-N-(2-methoxyethyl)pentane-2,3-diamine
CID 61647874
2-[(3-Amino-1,1,1-trifluoropentan-2-yl)-methylamino]ethanol
CID 61647976
2-[(3-Amino-1,1,1-trifluoropentan-2-yl)-propylamino]ethanol
CID 61647979
2-[(3-Amino-1,1,1-trifluoropentan-2-yl)-ethylamino]ethanol
CID 61648028
2-[(3-Amino-1,1,1-trifluoropentan-2-yl)-propan-2-ylamino]ethanol
CID 61648095
2-[(3-Amino-1,1,1-trifluorobutan-2-yl)-cyclopropylamino]ethanol
CID 61648096
2-[(3-Amino-1,1,1-trifluoropentan-2-yl)-cyclopropylamino]ethanol
CID 61648150
2-[(3-Amino-1,1,1-trifluoropentan-2-yl)-pentan-3-ylamino]ethanol
CID 61648204
1-[(3-Amino-1,1,1-trifluoropentan-2-yl)-methylamino]propan-2-ol
CID 62332888

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol (CID 116652889) is 3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol is CN(CC(O)C(F)(F)F)C(CN)C1CC1.
What is the InChIKey of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OJTGJVDVLHFSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-14(5-8(15)9(10,11)12)7(4-13)6-2-3-6/h6-8,15H,2-5,13H2,1H3.
What are the key properties of 3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol?
3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 226.24 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1-cyclopropylethyl)-methylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 116652889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).