1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine

C13H27F3N2 — CID 62624262

IUPAC1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
SMILESCCNC(CCN(CC)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H27F3N2/c1-6-17-11(12(3,4)5)8-9-18(7-2)10-13(14,15)16/h11,17H,6-10H2,1-5H3
InChIKeyLOGXRYIWKTZAOM-UHFFFAOYSA-N
MW268.37 g/mol
LogP3.28
Rot. Bonds7

About 1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine

1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine (PubChem CID 62624262) has the molecular formula C13H27F3N2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
PubChem CID62624262
Molecular FormulaC13H27F3N2
Molecular Weight268.37 g/mol
Exact Mass268.21
IUPAC Name1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
SMILESCCNC(CCN(CC)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H27F3N2/c1-6-17-11(12(3,4)5)8-9-18(7-2)10-13(14,15)16/h11,17H,6-10H2,1-5H3
InChIKeyLOGXRYIWKTZAOM-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine?
The IUPAC name of 1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine (CID 62624262) is 1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine?
The canonical SMILES for 1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine is CCNC(CCN(CC)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of 1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine?
The InChIKey is LOGXRYIWKTZAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2/c1-6-17-11(12(3,4)5)8-9-18(7-2)10-13(14,15)16/h11,17H,6-10H2,1-5H3.
What are the key properties of 1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine?
1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine has a molecular weight of 268.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine is sourced from PubChem (CID 62624262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).