2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

C10H21F3N2 — CID 114995583

IUPAC2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCCC(C)(CN)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H21F3N2/c1-5-9(4,6-14)15(8(2)3)7-10(11,12)13/h8H,5-7,14H2,1-4H3
InChIKeyRQXCUHOQFRIWRQ-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.39
Rot. Bonds5

About 2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (PubChem CID 114995583) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
PubChem CID114995583
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC Name2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCCC(C)(CN)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H21F3N2/c1-5-9(4,6-14)15(8(2)3)7-10(11,12)13/h8H,5-7,14H2,1-4H3
InChIKeyRQXCUHOQFRIWRQ-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-methyl-2-N-propan-2-ylheptane-1,2-diamine
CID 80558248
N-ethyl-2-fluoro-N-propan-2-ylbutan-2-amine
CID 155460840
N-(1-amino-2-methylbutan-2-yl)-N,2-dimethylpropane-2-sulfonamide
CID 63690060
2-N,2-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 61425963
1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 64820228
2-N-(diethylsulfamoyl)-2-N,2-dimethylbutane-1,2-diamine
CID 62010048
1-amino-2-methyl-2-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]butane
CID 114803901
2-methyl-2-N-(3-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62007587
2-ethyl-2-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62255881
2-N-ethyl-2-methyl-2-N-(2-methylpentyl)butane-1,2-diamine
CID 62265004
ethane;2-fluoro-2-methylpropan-1-amine
CID 166112006
3-cyclobutyl-2-methyl-2-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 113489996

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (CID 114995583) is 2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is CCC(C)(CN)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The InChIKey is RQXCUHOQFRIWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-5-9(4,6-14)15(8(2)3)7-10(11,12)13/h8H,5-7,14H2,1-4H3.
What are the key properties of 2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is sourced from PubChem (CID 114995583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).