1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine

C14H25N3O — CID 107429525

IUPAC1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCCc1nc(C2(N)CCCC(CC(C)C)C2)no1
InChIInChI=1S/C14H25N3O/c1-4-12-16-13(17-18-12)14(15)7-5-6-11(9-14)8-10(2)3/h10-11H,4-9,15H2,1-3H3
InChIKeyFBNKWFSJUPDXSA-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.02
Rot. Bonds4

About 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 107429525) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine
PubChem CID107429525
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine
SMILESCCc1nc(C2(N)CCCC(CC(C)C)C2)no1
InChIInChI=1S/C14H25N3O/c1-4-12-16-13(17-18-12)14(15)7-5-6-11(9-14)8-10(2)3/h10-11H,4-9,15H2,1-3H3
InChIKeyFBNKWFSJUPDXSA-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 43559385
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine
CID 65090399
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine
CID 64735743
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 114079407
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61351527
3-methyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 43559629
4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
CID 61339130
1-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61353306
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114876400
4-methyl-1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353317
1-[5-(1-cyclohexylpropan-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861523

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine (CID 107429525) is 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine is CCc1nc(C2(N)CCCC(CC(C)C)C2)no1.
What is the InChIKey of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is FBNKWFSJUPDXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-12-16-13(17-18-12)14(15)7-5-6-11(9-14)8-10(2)3/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine?
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 107429525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).