3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

C13H23N3O — CID 80540163

IUPAC3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC1CCCC(c2noc(C(C)CCN)n2)C1
InChIInChI=1S/C13H23N3O/c1-9-4-3-5-11(8-9)12-15-13(17-16-12)10(2)6-7-14/h9-11H,3-8,14H2,1-2H3
InChIKeyDLQBFEBBFZTRQN-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.82
Rot. Bonds4

About 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 80540163) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID80540163
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC1CCCC(c2noc(C(C)CCN)n2)C1
InChIInChI=1S/C13H23N3O/c1-9-4-3-5-11(8-9)12-15-13(17-16-12)10(2)6-7-14/h9-11H,3-8,14H2,1-2H3
InChIKeyDLQBFEBBFZTRQN-UHFFFAOYSA-N
XLogP2.82
TPSA64.94 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-amino-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107836809
3-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539976
3-amino-1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837020
2-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63560469
N-ethyl-3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350269
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65402444
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63350270
3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 62595230
3-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540138
3-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65402845
3-methyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 55201062
N-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350541

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 80540163) is 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CC1CCCC(c2noc(C(C)CCN)n2)C1.
What is the InChIKey of 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is DLQBFEBBFZTRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9-4-3-5-11(8-9)12-15-13(17-16-12)10(2)6-7-14/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 80540163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).