4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine

C15H20N2O — CID 61290682

IUPAC4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine
SMILESCc1cccc2oc(C3(N)CCC(C)CC3)nc12
InChIInChI=1S/C15H20N2O/c1-10-6-8-15(16,9-7-10)14-17-13-11(2)4-3-5-12(13)18-14/h3-5,10H,6-9,16H2,1-2H3
InChIKeyLRNVJISOPSSOGI-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.50
Rot. Bonds1

About 4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine

4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine (PubChem CID 61290682) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine
PubChem CID61290682
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine
SMILESCc1cccc2oc(C3(N)CCC(C)CC3)nc12
InChIInChI=1S/C15H20N2O/c1-10-6-8-15(16,9-7-10)14-17-13-11(2)4-3-5-12(13)18-14/h3-5,10H,6-9,16H2,1-2H3
InChIKeyLRNVJISOPSSOGI-UHFFFAOYSA-N
XLogP3.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine (CID 61290682) is 4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine is Cc1cccc2oc(C3(N)CCC(C)CC3)nc12.
What is the InChIKey of 4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine?
The InChIKey is LRNVJISOPSSOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-6-8-15(16,9-7-10)14-17-13-11(2)4-3-5-12(13)18-14/h3-5,10H,6-9,16H2,1-2H3.
What are the key properties of 4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine?
4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methyl-1,3-benzoxazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 61290682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).