3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine

C10H21F3N2 — CID 65296229

IUPAC3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
SMILESCC(C)(CCN)CCCNCC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-9(2,5-6-14)4-3-7-15-8-10(11,12)13/h15H,3-8,14H2,1-2H3
InChIKeyYKSIBHBAEJHQJD-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.29
Rot. Bonds7

About 3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine

3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine (PubChem CID 65296229) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine.

Molecular Properties

Compound Name3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
PubChem CID65296229
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC Name3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
SMILESCC(C)(CCN)CCCNCC(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-9(2,5-6-14)4-3-7-15-8-10(11,12)13/h15H,3-8,14H2,1-2H3
InChIKeyYKSIBHBAEJHQJD-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-aminoethyl)-4,4-dimethylheptane-1,7-diamine
CID 57136754
N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
CID 61150221
N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115520284
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513666
N-(3,3-dimethylbutyl)-2,2-dimethylbutane-1,4-diamine
CID 115204534
3,3-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]hexane-1,6-diamine
CID 65296351
N,N'-bis(3-aminopropyl)-2-[(3-aminopropylamino)methyl]-2-methylpropane-1,3-diamine
CID 11007372
4,4-dimethyl-5-(4,4,4-trifluorobutylamino)pentanenitrile
CID 115664335
N'-(2,2-dimethylpropyl)ethane-1,2-diamine
CID 61168060
5-chloro-N-(3-fluoropropyl)-2,2-dimethylpentan-1-amine
CID 106140659
5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol
CID 106147019

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine?
The IUPAC name of 3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine (CID 65296229) is 3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine.
What is the SMILES notation for 3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine?
The canonical SMILES for 3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine is CC(C)(CCN)CCCNCC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine?
The InChIKey is YKSIBHBAEJHQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-9(2,5-6-14)4-3-7-15-8-10(11,12)13/h15H,3-8,14H2,1-2H3.
What are the key properties of 3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine?
3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine is sourced from PubChem (CID 65296229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).