2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine

C16H32F3N3O — CID 138657179

IUPAC2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine
SMILESCC(CC(C)(C)NCC(F)(F)F)NC(C)(C)CN1CCOCC1
InChIInChI=1S/C16H32F3N3O/c1-13(10-14(2,3)20-11-16(17,18)19)21-15(4,5)12-22-6-8-23-9-7-22/h13,20-21H,6-12H2,1-5H3
InChIKeyWJHPYLSZEMMGJX-UHFFFAOYSA-N
MW339.45 g/mol
LogP2.40
Rot. Bonds8

About 2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine

2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine (PubChem CID 138657179) has the molecular formula C16H32F3N3O and a molecular weight of 339.45 g/mol. Its IUPAC name is 2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine
PubChem CID138657179
Molecular FormulaC16H32F3N3O
Molecular Weight339.45 g/mol
Exact Mass339.25
IUPAC Name2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine
SMILESCC(CC(C)(C)NCC(F)(F)F)NC(C)(C)CN1CCOCC1
InChIInChI=1S/C16H32F3N3O/c1-13(10-14(2,3)20-11-16(17,18)19)21-15(4,5)12-22-6-8-23-9-7-22/h13,20-21H,6-12H2,1-5H3
InChIKeyWJHPYLSZEMMGJX-UHFFFAOYSA-N
XLogP2.40
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,2-difluoro-3-[4-[4-(2-methoxyethyl)piperazin-1-yl]butoxy]propyl]-2-methylpropan-2-amine
CID 134492976
2-N-[1-[4-(2-amino-2-methylpropyl)morpholin-2-yl]-2,2,2-trifluoroethyl]-4-N-tert-butyl-2-methylpentane-2,4-diamine
CID 138659084
3-[(4-Tert-butylpiperazin-1-yl)methyl]-4,4,4-trifluoro-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 146521633
5-Tert-butyl-1-propyl-2-(2,2,2-trifluoroethoxy)piperazine
CID 155003866
3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane
CID 169133997
1-piperidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 54960405
[6-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]methanamine
CID 54989538
N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
CID 55244727
N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
CID 55244924
[4-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-2-yl]methanamine
CID 55257530
N-ethyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]ethanamine
CID 55257799
1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 55259527

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine?
The IUPAC name of 2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine (CID 138657179) is 2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine.
What is the SMILES notation for 2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine?
The canonical SMILES for 2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine is CC(CC(C)(C)NCC(F)(F)F)NC(C)(C)CN1CCOCC1.
What is the InChIKey of 2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine?
The InChIKey is WJHPYLSZEMMGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32F3N3O/c1-13(10-14(2,3)20-11-16(17,18)19)21-15(4,5)12-22-6-8-23-9-7-22/h13,20-21H,6-12H2,1-5H3.
What are the key properties of 2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine?
2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine has a molecular weight of 339.45 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-2-N-(2,2,2-trifluoroethyl)pentane-2,4-diamine is sourced from PubChem (CID 138657179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).