N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C15H27F3N2O — CID 63739787

IUPACN-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCC(C)NCC1(CN(CC(F)(F)F)C2CC2)CCCOC1
InChIInChI=1S/C15H27F3N2O/c1-12(2)19-8-14(6-3-7-21-11-14)9-20(13-4-5-13)10-15(16,17)18/h12-13,19H,3-11H2,1-2H3
InChIKeyBAZNLQWSMWSRIG-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.81
Rot. Bonds7

About N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 63739787) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID63739787
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCC(C)NCC1(CN(CC(F)(F)F)C2CC2)CCCOC1
InChIInChI=1S/C15H27F3N2O/c1-12(2)19-8-14(6-3-7-21-11-14)9-20(13-4-5-13)10-15(16,17)18/h12-13,19H,3-11H2,1-2H3
InChIKeyBAZNLQWSMWSRIG-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 63739787) is N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CC(C)NCC1(CN(CC(F)(F)F)C2CC2)CCCOC1.
What is the InChIKey of N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is BAZNLQWSMWSRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-12(2)19-8-14(6-3-7-21-11-14)9-20(13-4-5-13)10-15(16,17)18/h12-13,19H,3-11H2,1-2H3.
What are the key properties of N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 308.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 63739787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).