N-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C13H25F3N2O — CID 62555648

IUPACN-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CCNC(C)C1CCCO1)CC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-3-7-18(10-13(14,15)16)8-6-17-11(2)12-5-4-9-19-12/h11-12,17H,3-10H2,1-2H3
InChIKeyDGMIYKTYEZTOEV-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.42
Rot. Bonds8

About N-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 62555648) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID62555648
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CCNC(C)C1CCCO1)CC(F)(F)F
InChIInChI=1S/C13H25F3N2O/c1-3-7-18(10-13(14,15)16)8-6-17-11(2)12-5-4-9-19-12/h11-12,17H,3-10H2,1-2H3
InChIKeyDGMIYKTYEZTOEV-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 62555648) is N-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCN(CCNC(C)C1CCCO1)CC(F)(F)F.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is DGMIYKTYEZTOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-7-18(10-13(14,15)16)8-6-17-11(2)12-5-4-9-19-12/h11-12,17H,3-10H2,1-2H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 282.35 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 62555648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).