3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol

C10H19F3N2O — CID 102859840

IUPAC3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol
SMILESNCC(N(CCCO)C1CCC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)9(7-14)15(5-2-6-16)8-3-1-4-8/h8-9,16H,1-7,14H2
InChIKeyDWUUCJPEMUDRHT-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.11
Rot. Bonds6

About 3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol

3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol (PubChem CID 102859840) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol
PubChem CID102859840
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol
SMILESNCC(N(CCCO)C1CCC1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)9(7-14)15(5-2-6-16)8-3-1-4-8/h8-9,16H,1-7,14H2
InChIKeyDWUUCJPEMUDRHT-UHFFFAOYSA-N
XLogP1.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine
CID 43752659
2-[cyclobutyl(3-hydroxypropyl)amino]propanamide
CID 102858549
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-(2-hydroxyethyl)amino]ethanol
CID 61242806
2-[cyclobutyl(3-hydroxypropyl)amino]propanehydrazide
CID 102873675
3-[cyclobutyl(2-fluoroethyl)amino]propan-1-ol
CID 102848338
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol
CID 60960619
2-[cyclobutyl(3-hydroxypropyl)amino]butanehydrazide
CID 102873674
2-[3-aminopropyl(cyclohexyl)amino]propan-1-ol
CID 21469911
4-[cyclobutyl(3-hydroxypropyl)amino]butan-1-ol
CID 102848477
N-cyclobutyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide
CID 103514023
2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol
CID 176871800
2-[cyclobutyl(3-hydroxypropyl)amino]-N-pentylpropanamide
CID 102858511

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol (CID 102859840) is 3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol is NCC(N(CCCO)C1CCC1)C(F)(F)F.
What is the InChIKey of 3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol?
The InChIKey is DWUUCJPEMUDRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)9(7-14)15(5-2-6-16)8-3-1-4-8/h8-9,16H,1-7,14H2.
What are the key properties of 3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol?
3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol has a molecular weight of 240.27 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102859840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).