(4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine

C9H15N3O — CID 82408362

IUPAC(4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine
SMILESNCc1nonc1C1CCCCC1
InChIInChI=1S/C9H15N3O/c10-6-8-9(12-13-11-8)7-4-2-1-3-5-7/h7H,1-6,10H2
InChIKeyQAHSRFUBSCTCKU-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.58
Rot. Bonds2

About (4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine

(4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine (PubChem CID 82408362) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine
PubChem CID82408362
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine
SMILESNCc1nonc1C1CCCCC1
InChIInChI=1S/C9H15N3O/c10-6-8-9(12-13-11-8)7-4-2-1-3-5-7/h7H,1-6,10H2
InChIKeyQAHSRFUBSCTCKU-UHFFFAOYSA-N
XLogP1.58
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-cycloheptyl-5-methyl-1,3-oxazol-4-yl)methanamine
CID 82507667
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
(5-cyclohexylpyrimidin-2-yl)methanamine
CID 83697989
(4-cyclohexyl-5-propan-2-yl-1,3-oxazol-2-yl)methanamine
CID 105479719
3,4-dicyclohexyl-1,2-oxazol-5-amine
CID 101405411
(5-cyclohexyl-4-methyl-1,3-oxazol-2-yl)methanamine
CID 105448363
(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)methanamine
CID 105464505
(5-cycloheptyl-3-methyl-1,2-oxazol-4-yl)methanamine
CID 105462134
(5-cycloheptyl-3-methyltriazol-4-yl)methanamine
CID 105462408
(5-cyclohexyl-3-methyltriazol-4-yl)methanamine
CID 105448581
5-(aminomethyl)-2-cyclohexylpyridin-3-amine
CID 105458264
5-cycloheptyl-2H-triazol-4-amine
CID 105439081

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine?
The IUPAC name of (4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine (CID 82408362) is (4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine?
The canonical SMILES for (4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine is NCc1nonc1C1CCCCC1.
What is the InChIKey of (4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine?
The InChIKey is QAHSRFUBSCTCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-6-8-9(12-13-11-8)7-4-2-1-3-5-7/h7H,1-6,10H2.
What are the key properties of (4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine?
(4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine has a molecular weight of 181.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexyl-1,2,5-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 82408362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).