2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine

C16H27N3O — CID 61015493

IUPAC2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
SMILESCc1noc(CNC2CCCCC2C2CCCCC2)n1
InChIInChI=1S/C16H27N3O/c1-12-18-16(20-19-12)11-17-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h13-15,17H,2-11H2,1H3
InChIKeyKJDQKHRRWHVGPS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.61
Rot. Bonds4

About 2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine

2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 61015493) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID61015493
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
SMILESCc1noc(CNC2CCCCC2C2CCCCC2)n1
InChIInChI=1S/C16H27N3O/c1-12-18-16(20-19-12)11-17-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h13-15,17H,2-11H2,1H3
InChIKeyKJDQKHRRWHVGPS-UHFFFAOYSA-N
XLogP3.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine (CID 61015493) is 2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine is Cc1noc(CNC2CCCCC2C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is KJDQKHRRWHVGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12-18-16(20-19-12)11-17-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h13-15,17H,2-11H2,1H3.
What are the key properties of 2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine?
2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 61015493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).