3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine

C11H20F6N2 — CID 135137290

IUPAC3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine
SMILESCCCC(C)(N)CCN(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C11H20F6N2/c1-3-4-9(2,18)5-6-19(7-10(12,13)14)8-11(15,16)17/h3-8,18H2,1-2H3
InChIKeyHHUBPCSHWORUGO-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.32
Rot. Bonds7

About 3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine

3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine (PubChem CID 135137290) has the molecular formula C11H20F6N2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine
PubChem CID135137290
Molecular FormulaC11H20F6N2
Molecular Weight294.28 g/mol
Exact Mass294.15
IUPAC Name3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine
SMILESCCCC(C)(N)CCN(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C11H20F6N2/c1-3-4-9(2,18)5-6-19(7-10(12,13)14)8-11(15,16)17/h3-8,18H2,1-2H3
InChIKeyHHUBPCSHWORUGO-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine?
The IUPAC name of 3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine (CID 135137290) is 3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine.
What is the SMILES notation for 3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine?
The canonical SMILES for 3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine is CCCC(C)(N)CCN(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine?
The InChIKey is HHUBPCSHWORUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F6N2/c1-3-4-9(2,18)5-6-19(7-10(12,13)14)8-11(15,16)17/h3-8,18H2,1-2H3.
What are the key properties of 3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine?
3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine has a molecular weight of 294.28 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N,1-N-bis(2,2,2-trifluoroethyl)hexane-1,3-diamine is sourced from PubChem (CID 135137290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).