5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine

C9H17N3O — CID 131102213

IUPAC5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCC(C)C(C)Nc1nnc(C)o1
InChIInChI=1S/C9H17N3O/c1-5-6(2)7(3)10-9-12-11-8(4)13-9/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyWMYCJCAIPPDJKQ-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.22
Rot. Bonds4

About 5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine

5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 131102213) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID131102213
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCCC(C)C(C)Nc1nnc(C)o1
InChIInChI=1S/C9H17N3O/c1-5-6(2)7(3)10-9-12-11-8(4)13-9/h6-7H,5H2,1-4H3,(H,10,12)
InChIKeyWMYCJCAIPPDJKQ-UHFFFAOYSA-N
XLogP2.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,4-difluorobutan-2-yl)-5-methyl-1,3,4-oxadiazol-2-amine
CID 130831245
N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine
CID 88975148
N-(3-methylpentan-2-yl)-1,3-benzoxazol-2-amine
CID 61397667
N-[1-(4-bromophenyl)ethyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 167862956
2,5-dimethyl-1,3,4-oxadiazole;propane
CID 143140950
N-(3-ethylpentan-2-yl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961187
3-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]propanenitrile
CID 131154584
5-(aminomethyl)-N-(1,1-difluoropropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 127011526
5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 106967664
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 104554098
2-amino-2-ethyl-N-(5-methyl-1,3,4-oxadiazol-2-yl)butanamide
CID 21154901
5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80803162

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine (CID 131102213) is 5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine is CCC(C)C(C)Nc1nnc(C)o1.
What is the InChIKey of 5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is WMYCJCAIPPDJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-5-6(2)7(3)10-9-12-11-8(4)13-9/h6-7H,5H2,1-4H3,(H,10,12).
What are the key properties of 5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine?
5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 183.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 131102213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).