[1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine

C15H20N2O — CID 115436597

IUPAC[1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
SMILESCc1ccc2nc(C3(CN)CCCCC3)oc2c1
InChIInChI=1S/C15H20N2O/c1-11-5-6-12-13(9-11)18-14(17-12)15(10-16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,16H2,1H3
InChIKeyAWXUWJHLNZFHSB-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.30
Rot. Bonds2

About [1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine

[1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine (PubChem CID 115436597) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
PubChem CID115436597
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
SMILESCc1ccc2nc(C3(CN)CCCCC3)oc2c1
InChIInChI=1S/C15H20N2O/c1-11-5-6-12-13(9-11)18-14(17-12)15(10-16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,16H2,1H3
InChIKeyAWXUWJHLNZFHSB-UHFFFAOYSA-N
XLogP3.30
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine (CID 115436597) is [1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine is Cc1ccc2nc(C3(CN)CCCCC3)oc2c1.
What is the InChIKey of [1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
The InChIKey is AWXUWJHLNZFHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-5-6-12-13(9-11)18-14(17-12)15(10-16)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10,16H2,1H3.
What are the key properties of [1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine?
[1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methyl-1,3-benzoxazol-2-yl)cyclohexyl]methanamine is sourced from PubChem (CID 115436597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).