N-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine

C15H25F3N2O — CID 63739608

IUPACN-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)CN(CC1(CNC2CC2)CCCOC1)C1CC1
InChIInChI=1S/C15H25F3N2O/c16-15(17,18)10-20(13-4-5-13)9-14(6-1-7-21-11-14)8-19-12-2-3-12/h12-13,19H,1-11H2
InChIKeyGYGOOVOONOXPOP-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.56
Rot. Bonds7

About N-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine

N-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine (PubChem CID 63739608) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
PubChem CID63739608
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC NameN-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)CN(CC1(CNC2CC2)CCCOC1)C1CC1
InChIInChI=1S/C15H25F3N2O/c16-15(17,18)10-20(13-4-5-13)9-14(6-1-7-21-11-14)8-19-12-2-3-12/h12-13,19H,1-11H2
InChIKeyGYGOOVOONOXPOP-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine (CID 63739608) is N-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine is FC(F)(F)CN(CC1(CNC2CC2)CCCOC1)C1CC1.
What is the InChIKey of N-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
The InChIKey is GYGOOVOONOXPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O/c16-15(17,18)10-20(13-4-5-13)9-14(6-1-7-21-11-14)8-19-12-2-3-12/h12-13,19H,1-11H2.
What are the key properties of N-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine?
N-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine has a molecular weight of 306.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 63739608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).