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

C10H19N3O — CID 106659745

IUPAC3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)CCC(C)C)n1
InChIInChI=1S/C10H19N3O/c1-7(2)5-6-8(3)11-10-12-9(4)13-14-10/h7-8H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyDRBGTXXRMPVPPI-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.61
Rot. Bonds5

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

3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 106659745) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine
PubChem CID106659745
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NC(C)CCC(C)C)n1
InChIInChI=1S/C10H19N3O/c1-7(2)5-6-8(3)11-10-12-9(4)13-14-10/h7-8H,5-6H2,1-4H3,(H,11,12,13)
InChIKeyDRBGTXXRMPVPPI-UHFFFAOYSA-N
XLogP2.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-pentan-2-yl-1,2,4-oxadiazol-5-amine
CID 106659529
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659641
N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659786
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659817
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106659606
3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
CID 106659811
3-methyl-N-(1-pyridin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 106659554
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677451
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexan-2-amine
CID 107911627
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106214197
1-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]pentan-2-ol
CID 102677492
2-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propane-1,2-diamine
CID 83828774

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine (CID 106659745) is 3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine is Cc1noc(NC(C)CCC(C)C)n1.
What is the InChIKey of 3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is DRBGTXXRMPVPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)5-6-8(3)11-10-12-9(4)13-14-10/h7-8H,5-6H2,1-4H3,(H,11,12,13).
What are the key properties of 3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine?
3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 197.28 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methylhexan-2-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106659745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).