(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine

C10H17N3O — CID 65390292

IUPAC(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNCc1nc(C2CCCCCC2)no1
InChIInChI=1S/C10H17N3O/c11-7-9-12-10(13-14-9)8-5-3-1-2-4-6-8/h8H,1-7,11H2
InChIKeyHOZIVJNVSXRWJA-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.97
Rot. Bonds2

About (3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine

(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 65390292) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID65390292
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNCc1nc(C2CCCCCC2)no1
InChIInChI=1S/C10H17N3O/c11-7-9-12-10(13-14-9)8-5-3-1-2-4-6-8/h8H,1-7,11H2
InChIKeyHOZIVJNVSXRWJA-UHFFFAOYSA-N
XLogP1.97
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656
1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 64673214
[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 80620872
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 79200552
5-(3-chloropropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 43513453
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
CID 65390099
[2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 81317921
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508

Frequently Asked Questions

What is the IUPAC name of (3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of (3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine (CID 65390292) is (3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for (3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for (3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine is NCc1nc(C2CCCCCC2)no1.
What is the InChIKey of (3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is HOZIVJNVSXRWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-7-9-12-10(13-14-9)8-5-3-1-2-4-6-8/h8H,1-7,11H2.
What are the key properties of (3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine?
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 195.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 65390292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).