N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine

C14H28N4O — CID 79668122

IUPACN'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCN(Cc1noc(C(C)(C)C)n1)CC(C)(C)CN
InChIInChI=1S/C14H28N4O/c1-7-18(10-14(5,6)9-15)8-11-16-12(19-17-11)13(2,3)4/h7-10,15H2,1-6H3
InChIKeyHWEYMWCGOJUUKA-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.17
Rot. Bonds6

About N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine

N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (PubChem CID 79668122) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
PubChem CID79668122
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC NameN'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
SMILESCCN(Cc1noc(C(C)(C)C)n1)CC(C)(C)CN
InChIInChI=1S/C14H28N4O/c1-7-18(10-14(5,6)9-15)8-11-16-12(19-17-11)13(2,3)4/h7-10,15H2,1-6H3
InChIKeyHWEYMWCGOJUUKA-UHFFFAOYSA-N
XLogP2.17
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine (CID 79668122) is N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is CCN(Cc1noc(C(C)(C)C)n1)CC(C)(C)CN.
What is the InChIKey of N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
The InChIKey is HWEYMWCGOJUUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-7-18(10-14(5,6)9-15)8-11-16-12(19-17-11)13(2,3)4/h7-10,15H2,1-6H3.
What are the key properties of N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine?
N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine has a molecular weight of 268.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 79668122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).