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

C14H25N3O — CID 65390099

IUPAC4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1nc(C2CCCCCC2)no1
InChIInChI=1S/C14H25N3O/c1-14(2,15)10-9-12-16-13(17-18-12)11-7-5-3-4-6-8-11/h11H,3-10,15H2,1-2H3
InChIKeyUEJWLCZJJCQWOY-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.18
Rot. Bonds4

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

4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine (PubChem CID 65390099) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
PubChem CID65390099
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1nc(C2CCCCCC2)no1
InChIInChI=1S/C14H25N3O/c1-14(2,15)10-9-12-16-13(17-18-12)11-7-5-3-4-6-8-11/h11H,3-10,15H2,1-2H3
InChIKeyUEJWLCZJJCQWOY-UHFFFAOYSA-N
XLogP3.18
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65389519
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656
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
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 65425572
3,3-dimethyl-5-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65329360
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 80601737
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508

Frequently Asked Questions

What is the IUPAC name of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine?
The IUPAC name of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine (CID 65390099) is 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine is CC(C)(N)CCc1nc(C2CCCCCC2)no1.
What is the InChIKey of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine?
The InChIKey is UEJWLCZJJCQWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2,15)10-9-12-16-13(17-18-12)11-7-5-3-4-6-8-11/h11H,3-10,15H2,1-2H3.
What are the key properties of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine?
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine is sourced from PubChem (CID 65390099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).