N,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine

C11H22N4O — CID 103605050

IUPACN,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine
SMILESCc1nnc(CNCC(C)(C)CN(C)C)o1
InChIInChI=1S/C11H22N4O/c1-9-13-14-10(16-9)6-12-7-11(2,3)8-15(4)5/h12H,6-8H2,1-5H3
InChIKeyRRZGJLFFVKRYKM-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.06
Rot. Bonds6

About N,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine (PubChem CID 103605050) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine
PubChem CID103605050
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine
SMILESCc1nnc(CNCC(C)(C)CN(C)C)o1
InChIInChI=1S/C11H22N4O/c1-9-13-14-10(16-9)6-12-7-11(2,3)8-15(4)5/h12H,6-8H2,1-5H3
InChIKeyRRZGJLFFVKRYKM-UHFFFAOYSA-N
XLogP1.06
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine (CID 103605050) is N,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine is Cc1nnc(CNCC(C)(C)CN(C)C)o1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine?
The InChIKey is RRZGJLFFVKRYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-9-13-14-10(16-9)6-12-7-11(2,3)8-15(4)5/h12H,6-8H2,1-5H3.
What are the key properties of N,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine has a molecular weight of 226.32 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 103605050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).