N,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine

C14H27F3N2O — CID 79930091

IUPACN,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine
SMILESCNC1C(CN(C)CCC(F)(F)F)C(C)(C)OC1(C)C
InChIInChI=1S/C14H27F3N2O/c1-12(2)10(11(18-5)13(3,4)20-12)9-19(6)8-7-14(15,16)17/h10-11,18H,7-9H2,1-6H3
InChIKeyPZLRYMMNXQCAPW-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.66
Rot. Bonds5

About N,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine

N,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine (PubChem CID 79930091) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is N,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine
PubChem CID79930091
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC NameN,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine
SMILESCNC1C(CN(C)CCC(F)(F)F)C(C)(C)OC1(C)C
InChIInChI=1S/C14H27F3N2O/c1-12(2)10(11(18-5)13(3,4)20-12)9-19(6)8-7-14(15,16)17/h10-11,18H,7-9H2,1-6H3
InChIKeyPZLRYMMNXQCAPW-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine?
The IUPAC name of N,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine (CID 79930091) is N,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for N,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for N,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine is CNC1C(CN(C)CCC(F)(F)F)C(C)(C)OC1(C)C.
What is the InChIKey of N,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine?
The InChIKey is PZLRYMMNXQCAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-12(2)10(11(18-5)13(3,4)20-12)9-19(6)8-7-14(15,16)17/h10-11,18H,7-9H2,1-6H3.
What are the key properties of N,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine?
N,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine has a molecular weight of 296.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,5,5-pentamethyl-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 79930091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).