4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine

C13H27F3N2 — CID 106799639

IUPAC4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine
SMILESCCCN(CCCC(CC)NCC)CC(F)(F)F
InChIInChI=1S/C13H27F3N2/c1-4-9-18(11-13(14,15)16)10-7-8-12(5-2)17-6-3/h12,17H,4-11H2,1-3H3
InChIKeyJNAZSKMHPZXLJF-UHFFFAOYSA-N
MW268.37 g/mol
LogP3.43
Rot. Bonds10

About 4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine

4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine (PubChem CID 106799639) has the molecular formula C13H27F3N2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine
PubChem CID106799639
Molecular FormulaC13H27F3N2
Molecular Weight268.37 g/mol
Exact Mass268.21
IUPAC Name4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine
SMILESCCCN(CCCC(CC)NCC)CC(F)(F)F
InChIInChI=1S/C13H27F3N2/c1-4-9-18(11-13(14,15)16)10-7-8-12(5-2)17-6-3/h12,17H,4-11H2,1-3H3
InChIKeyJNAZSKMHPZXLJF-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044491
2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 64828088
2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64828287
N-ethylnonan-3-amine
CID 60996683
N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane
CID 170732267
N-ethyl-1,1,1-trifluorooctan-4-amine
CID 79404596
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799873
1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
CID 62624262
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
N-ethyl-1,1,1-trifluoropentan-3-amine
CID 55149830
2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol
CID 64825496
N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 24704116

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine (CID 106799639) is 4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine is CCCN(CCCC(CC)NCC)CC(F)(F)F.
What is the InChIKey of 4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine?
The InChIKey is JNAZSKMHPZXLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2/c1-4-9-18(11-13(14,15)16)10-7-8-12(5-2)17-6-3/h12,17H,4-11H2,1-3H3.
What are the key properties of 4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine?
4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine has a molecular weight of 268.37 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine is sourced from PubChem (CID 106799639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).