N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine

C9H19F3N2 — CID 115518829

IUPACN',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
SMILESCN(C)CCNCCCCC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-14(2)8-7-13-6-4-3-5-9(10,11)12/h13H,3-8H2,1-2H3
InChIKeyVGPQJZXSEOZOJO-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.87
Rot. Bonds7

About N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine

N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine (PubChem CID 115518829) has the molecular formula C9H19F3N2 and a molecular weight of 212.26 g/mol. Its IUPAC name is N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
PubChem CID115518829
Molecular FormulaC9H19F3N2
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC NameN',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
SMILESCN(C)CCNCCCCC(F)(F)F
InChIInChI=1S/C9H19F3N2/c1-14(2)8-7-13-6-4-3-5-9(10,11)12/h13H,3-8H2,1-2H3
InChIKeyVGPQJZXSEOZOJO-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine
CID 115517334
N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine
CID 82957153
ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine
CID 166092761
N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513417
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N-methyl-N'-(4,4,4-trifluorobutyl)butane-1,4-diamine
CID 115520274
N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 106045632
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 113326351
N',N'-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine
CID 116615333
N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane
CID 143427394
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 106045562

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine (CID 115518829) is N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine is CN(C)CCNCCCCC(F)(F)F.
What is the InChIKey of N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine?
The InChIKey is VGPQJZXSEOZOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2/c1-14(2)8-7-13-6-4-3-5-9(10,11)12/h13H,3-8H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine has a molecular weight of 212.26 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine is sourced from PubChem (CID 115518829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).