N'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C14H25F3N2O — CID 107494775

IUPACN'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC1CCC2(CCCCC2)O1)CC(F)(F)F
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)11-19(9-8-18)10-12-4-7-13(20-12)5-2-1-3-6-13/h12H,1-11,18H2
InChIKeyREYDJSYQWLDUKS-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.69
Rot. Bonds5

About N'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494775) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494775
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC1CCC2(CCCCC2)O1)CC(F)(F)F
InChIInChI=1S/C14H25F3N2O/c15-14(16,17)11-19(9-8-18)10-12-4-7-13(20-12)5-2-1-3-6-13/h12H,1-11,18H2
InChIKeyREYDJSYQWLDUKS-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494775) is N'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCCN(CC1CCC2(CCCCC2)O1)CC(F)(F)F.
What is the InChIKey of N'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is REYDJSYQWLDUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c15-14(16,17)11-19(9-8-18)10-12-4-7-13(20-12)5-2-1-3-6-13/h12H,1-11,18H2.
What are the key properties of N'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 294.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-oxaspiro[4.5]decan-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).