2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine

C15H27N3O — CID 63892003

IUPAC2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1c1nc(CC(C)(C)C)no1
InChIInChI=1S/C15H27N3O/c1-5-16-12-9-7-6-8-11(12)14-17-13(18-19-14)10-15(2,3)4/h11-12,16H,5-10H2,1-4H3
InChIKeyZQDZQDVJZIALPK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.29
Rot. Bonds4

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

2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine (PubChem CID 63892003) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
PubChem CID63892003
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCCC1c1nc(CC(C)(C)C)no1
InChIInChI=1S/C15H27N3O/c1-5-16-12-9-7-6-8-11(12)14-17-13(18-19-14)10-15(2,3)4/h11-12,16H,5-10H2,1-4H3
InChIKeyZQDZQDVJZIALPK-UHFFFAOYSA-N
XLogP3.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63892415
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclopentan-1-amine
CID 55201257
2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 63347136
N-ethyl-2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65130270
2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-N-ethylcycloheptan-1-amine
CID 115347333
N-ethyl-2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65133160
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclohexan-1-amine
CID 65424411
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63892405
N-ethyl-2-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63348137
N-ethyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63350856
N-ethyl-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 65415278
N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 80637975

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine (CID 63892003) is 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine is CCNC1CCCCC1c1nc(CC(C)(C)C)no1.
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine?
The InChIKey is ZQDZQDVJZIALPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-16-12-9-7-6-8-11(12)14-17-13(18-19-14)10-15(2,3)4/h11-12,16H,5-10H2,1-4H3.
What are the key properties of 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine?
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 63892003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).