2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine

C9H18N4O — CID 103436731

IUPAC2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
SMILESCC(N(C)c1nnc(N)o1)C(C)(C)C
InChIInChI=1S/C9H18N4O/c1-6(9(2,3)4)13(5)8-12-11-7(10)14-8/h6H,1-5H3,(H2,10,11)
InChIKeyGRTYFURVQRTIHT-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.52
Rot. Bonds2

About 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine

2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436731) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436731
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
SMILESCC(N(C)c1nnc(N)o1)C(C)(C)C
InChIInChI=1S/C9H18N4O/c1-6(9(2,3)4)13(5)8-12-11-7(10)14-8/h6H,1-5H3,(H2,10,11)
InChIKeyGRTYFURVQRTIHT-UHFFFAOYSA-N
XLogP1.52
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969942
2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3-benzoxazole-2,5-diamine
CID 79891032
5-(3,3-dimethylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 88976321
2-[(5-amino-1,3,4-oxadiazol-2-yl)-propan-2-ylamino]ethanol
CID 103436921
3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine
CID 104540178
2-N,2-N-dipropyl-1,3,4-oxadiazole-2,5-diamine
CID 103436555
3-N-(3,3-dimethylbutan-2-yl)-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
CID 66277737
5-(2,4-dimethylpentan-2-yl)-1,3,4-oxadiazol-2-amine
CID 89333441
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80815573
5-[(5-amino-1,3,4-oxadiazol-2-yl)-methylamino]pentan-1-ol
CID 107207671
6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyrazin-2-amine
CID 66456241
2-N-(4-ethylphenyl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine
CID 103436823

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine (CID 103436731) is 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine is CC(N(C)c1nnc(N)o1)C(C)(C)C.
What is the InChIKey of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is GRTYFURVQRTIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-6(9(2,3)4)13(5)8-12-11-7(10)14-8/h6H,1-5H3,(H2,10,11).
What are the key properties of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine?
2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 198.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).