N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C13H23F3N2O — CID 107494833

IUPACN'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC1CCC2(CCCC2)O1)CC(F)(F)F
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18(8-7-17)9-11-3-6-12(19-11)4-1-2-5-12/h11H,1-10,17H2
InChIKeyRUVZXJGAKGWMHA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.30
Rot. Bonds5

About N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494833) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494833
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC1CCC2(CCCC2)O1)CC(F)(F)F
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18(8-7-17)9-11-3-6-12(19-11)4-1-2-5-12/h11H,1-10,17H2
InChIKeyRUVZXJGAKGWMHA-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494833) is N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCCN(CC1CCC2(CCCC2)O1)CC(F)(F)F.
What is the InChIKey of N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is RUVZXJGAKGWMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-18(8-7-17)9-11-3-6-12(19-11)4-1-2-5-12/h11H,1-10,17H2.
What are the key properties of N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 280.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).