5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine

C12H23N3O — CID 61015246

IUPAC5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine
SMILESCCC(C)CC(CC)NCc1nc(C)no1
InChIInChI=1S/C12H23N3O/c1-5-9(3)7-11(6-2)13-8-12-14-10(4)15-16-12/h9,11,13H,5-8H2,1-4H3
InChIKeyRILCVAGAGVDDNZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.68
Rot. Bonds7

About 5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine

5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine (PubChem CID 61015246) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine
PubChem CID61015246
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine
SMILESCCC(C)CC(CC)NCc1nc(C)no1
InChIInChI=1S/C12H23N3O/c1-5-9(3)7-11(6-2)13-8-12-14-10(4)15-16-12/h9,11,13H,5-8H2,1-4H3
InChIKeyRILCVAGAGVDDNZ-UHFFFAOYSA-N
XLogP2.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propane-1,2-diamine
CID 103389384
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiohydroxylamine
CID 155238388
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile
CID 106417030
1-(furan-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 62634003
2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]butan-1-amine
CID 115887438
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]butan-2-ol
CID 61014735
N-chloro-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 165372391
N-(5-methylheptan-3-yl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678235
1-(4-ethylphenyl)-2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 86919174
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylpropan-2-amine
CID 114991150
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 115716913
3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane
CID 171626644

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine?
The IUPAC name of 5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine (CID 61015246) is 5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine.
What is the SMILES notation for 5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine?
The canonical SMILES for 5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine is CCC(C)CC(CC)NCc1nc(C)no1.
What is the InChIKey of 5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine?
The InChIKey is RILCVAGAGVDDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-9(3)7-11(6-2)13-8-12-14-10(4)15-16-12/h9,11,13H,5-8H2,1-4H3.
What are the key properties of 5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine?
5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine has a molecular weight of 225.34 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]heptan-3-amine is sourced from PubChem (CID 61015246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).