4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine

C13H23N3O — CID 63719470

IUPAC4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine
SMILESCCC(C)c1noc(C2CCC(NC)CC2)n1
InChIInChI=1S/C13H23N3O/c1-4-9(2)12-15-13(17-16-12)10-5-7-11(14-3)8-6-10/h9-11,14H,4-8H2,1-3H3
InChIKeyWVRXSGVLYVXQFZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.83
Rot. Bonds4

About 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine

4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine (PubChem CID 63719470) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine
PubChem CID63719470
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine
SMILESCCC(C)c1noc(C2CCC(NC)CC2)n1
InChIInChI=1S/C13H23N3O/c1-4-9(2)12-15-13(17-16-12)10-5-7-11(14-3)8-6-10/h9-11,14H,4-8H2,1-3H3
InChIKeyWVRXSGVLYVXQFZ-UHFFFAOYSA-N
XLogP2.83
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63347914
4-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 113391752
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 65129910
N-methyl-4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65137412
3-(1-chloropropyl)-5-(4-methylcyclohexyl)-1,2,4-oxadiazole
CID 103095705
N-methyl-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63351991
3-butan-2-yl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79371942
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-butan-2-yl-1,2,4-oxadiazole
CID 56728016
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326658
N-methyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202433
1-[3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 56728197
4-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 116780982

Frequently Asked Questions

What is the IUPAC name of 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine (CID 63719470) is 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine is CCC(C)c1noc(C2CCC(NC)CC2)n1.
What is the InChIKey of 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine?
The InChIKey is WVRXSGVLYVXQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-9(2)12-15-13(17-16-12)10-5-7-11(14-3)8-6-10/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine?
4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 63719470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).