N'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine

C13H29FN2O — CID 90053518

IUPACN'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine
SMILESCCN(CCN)C(C)(C)CCOC(C)(C)CF
InChIInChI=1S/C13H29FN2O/c1-6-16(9-8-15)12(2,3)7-10-17-13(4,5)11-14/h6-11,15H2,1-5H3
InChIKeySSYRXYZUMUOQBM-UHFFFAOYSA-N
MW248.39 g/mol
LogP2.20
Rot. Bonds9

About N'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine

N'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine (PubChem CID 90053518) has the molecular formula C13H29FN2O and a molecular weight of 248.39 g/mol. Its IUPAC name is N'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine
PubChem CID90053518
Molecular FormulaC13H29FN2O
Molecular Weight248.39 g/mol
Exact Mass248.23
IUPAC NameN'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine
SMILESCCN(CCN)C(C)(C)CCOC(C)(C)CF
InChIInChI=1S/C13H29FN2O/c1-6-16(9-8-15)12(2,3)7-10-17-13(4,5)11-14/h6-11,15H2,1-5H3
InChIKeySSYRXYZUMUOQBM-UHFFFAOYSA-N
XLogP2.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine (CID 90053518) is N'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine is CCN(CCN)C(C)(C)CCOC(C)(C)CF.
What is the InChIKey of N'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine?
The InChIKey is SSYRXYZUMUOQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29FN2O/c1-6-16(9-8-15)12(2,3)7-10-17-13(4,5)11-14/h6-11,15H2,1-5H3.
What are the key properties of N'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine?
N'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine has a molecular weight of 248.39 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[4-(1-fluoro-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 90053518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).