2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine

C9H19F3N2 — CID 115717067

IUPAC2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine
SMILESCC(CC(F)(F)F)NCC(C)N(C)C
InChIInChI=1S/C9H19F3N2/c1-7(5-9(10,11)12)13-6-8(2)14(3)4/h7-8,13H,5-6H2,1-4H3
InChIKeyJECMIVYVQADMSW-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.87
Rot. Bonds5

About 2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine

2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine (PubChem CID 115717067) has the molecular formula C9H19F3N2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine
PubChem CID115717067
Molecular FormulaC9H19F3N2
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC Name2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine
SMILESCC(CC(F)(F)F)NCC(C)N(C)C
InChIInChI=1S/C9H19F3N2/c1-7(5-9(10,11)12)13-6-8(2)14(3)4/h7-8,13H,5-6H2,1-4H3
InChIKeyJECMIVYVQADMSW-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine
CID 115710251
N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine
CID 115705887
2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine
CID 103779068
1-N-(1-cyclopropylpropan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717048
N-but-2-ynyl-4,4,4-trifluorobutan-2-amine
CID 103905896
N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide
CID 115715320
1-N-[1-(4-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717047
N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide
CID 103776091
2-N,2-N,4-trimethyl-1-N-(6,6,6-trifluorohexan-2-yl)pentane-1,2-diamine
CID 116534156
tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
CID 103389411
2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62428588
2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate
CID 60858888

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine (CID 115717067) is 2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine is CC(CC(F)(F)F)NCC(C)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine?
The InChIKey is JECMIVYVQADMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2/c1-7(5-9(10,11)12)13-6-8(2)14(3)4/h7-8,13H,5-6H2,1-4H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine has a molecular weight of 212.26 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 115717067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).