4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine

C9H19F3N2O — CID 106675747

IUPAC4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-8(2,15-3)4-7(5-13)14-6-9(10,11)12/h7,14H,4-6,13H2,1-3H3
InChIKeyKYDAQTSWFXDVDO-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.28
Rot. Bonds6

About 4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine

4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (PubChem CID 106675747) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
PubChem CID106675747
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCC(F)(F)F
InChIInChI=1S/C9H19F3N2O/c1-8(2,15-3)4-7(5-13)14-6-9(10,11)12/h7,14H,4-6,13H2,1-3H3
InChIKeyKYDAQTSWFXDVDO-UHFFFAOYSA-N
XLogP1.28
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
1-N,1-N,4-trimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]pentane-1,2-diamine
CID 61511309
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 66204142
1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 66205173
N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 80604812
1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 80605536
4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine
CID 81343377
N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine
CID 103031785
1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103032113
1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine
CID 103032277
1,1-difluoro-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103517295

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The IUPAC name of 4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine (CID 106675747) is 4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine.
What is the SMILES notation for 4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The canonical SMILES for 4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is COC(C)(C)CC(CN)NCC(F)(F)F.
What is the InChIKey of 4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
The InChIKey is KYDAQTSWFXDVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-8(2,15-3)4-7(5-13)14-6-9(10,11)12/h7,14H,4-6,13H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine?
4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine has a molecular weight of 228.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine is sourced from PubChem (CID 106675747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).