N,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine

C15H30F6N4 — CID 139761389

IUPACN,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCN(C)CCN(CCCN(CCN(C)C)CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C15H30F6N4/c1-22(2)8-10-24(12-14(16,17)18)6-5-7-25(11-9-23(3)4)13-15(19,20)21/h5-13H2,1-4H3
InChIKeyJTMWGIRSWABHKC-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.23
Rot. Bonds12

About N,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine

N,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 139761389) has the molecular formula C15H30F6N4 and a molecular weight of 380.42 g/mol. Its IUPAC name is N,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID139761389
Molecular FormulaC15H30F6N4
Molecular Weight380.42 g/mol
Exact Mass380.24
IUPAC NameN,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCN(C)CCN(CCCN(CCN(C)C)CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C15H30F6N4/c1-22(2)8-10-24(12-14(16,17)18)6-5-7-25(11-9-23(3)4)13-15(19,20)21/h5-13H2,1-4H3
InChIKeyJTMWGIRSWABHKC-UHFFFAOYSA-N
XLogP2.23
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 139761389) is N,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine is CN(C)CCN(CCCN(CCN(C)C)CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of N,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is JTMWGIRSWABHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F6N4/c1-22(2)8-10-24(12-14(16,17)18)6-5-7-25(11-9-23(3)4)13-15(19,20)21/h5-13H2,1-4H3.
What are the key properties of N,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine?
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 380.42 g/mol, XLogP of 2.23, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2-(dimethylamino)ethyl]-N,N'-bis(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 139761389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).