N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane

C8H19F3N2 — CID 143427394

IUPACN-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CCNCCN(C)C
InChIInChI=1S/C6H16N2.C2H3F3/c1-4-7-5-6-8(2)3;1-2(3,4)5/h7H,4-6H2,1-3H3;1H3
InChIKeyQQMMJBJTEVVOCH-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.73
Rot. Bonds4

About N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane

N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane (PubChem CID 143427394) has the molecular formula C8H19F3N2 and a molecular weight of 200.25 g/mol. Its IUPAC name is N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane.

Molecular Properties

Compound NameN-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane
PubChem CID143427394
Molecular FormulaC8H19F3N2
Molecular Weight200.25 g/mol
Exact Mass200.15
IUPAC NameN-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CCNCCN(C)C
InChIInChI=1S/C6H16N2.C2H3F3/c1-4-7-5-6-8(2)3;1-2(3,4)5/h7H,4-6H2,1-3H3;1H3
InChIKeyQQMMJBJTEVVOCH-UHFFFAOYSA-N
XLogP1.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.73
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

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CID 115205666
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N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115518829
2-(dimethylamino)ethanol;2-(ethylamino)ethanol
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1-N-[2-(dimethylamino)ethyl]-2-methylpropane-1,2-diamine
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CID 28572535
4-(ethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol
CID 80559493
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N-ethyl-N'-methyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62427958
3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol
CID 65111554
N,N-dimethylpropan-1-amine;ethane;N-ethylethanamine
CID 143587247
N'-(3,3-dimethylbutyl)-N-ethyl-N'-iodoethane-1,2-diamine
CID 155118462

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane?
The IUPAC name of N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane (CID 143427394) is N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane.
What is the SMILES notation for N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane?
The canonical SMILES for N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane is CC(F)(F)F.CCNCCN(C)C.
What is the InChIKey of N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane?
The InChIKey is QQMMJBJTEVVOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C2H3F3/c1-4-7-5-6-8(2)3;1-2(3,4)5/h7H,4-6H2,1-3H3;1H3.
What are the key properties of N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane?
N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane has a molecular weight of 200.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N',N'-dimethylethane-1,2-diamine;1,1,1-trifluoroethane is sourced from PubChem (CID 143427394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).