N-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine

C18H26N2O2 — CID 53345030

IUPACN-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine
SMILESCOC1CC(C)(C)CC(C)(CNc2nc3ccccc3o2)C1
InChIInChI=1S/C18H26N2O2/c1-17(2)9-13(21-4)10-18(3,11-17)12-19-16-20-14-7-5-6-8-15(14)22-16/h5-8,13H,9-12H2,1-4H3,(H,19,20)
InChIKeyZPQLOWGEGDUTNZ-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.47
Rot. Bonds4

About N-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine

N-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 53345030) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine
PubChem CID53345030
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine
SMILESCOC1CC(C)(C)CC(C)(CNc2nc3ccccc3o2)C1
InChIInChI=1S/C18H26N2O2/c1-17(2)9-13(21-4)10-18(3,11-17)12-19-16-20-14-7-5-6-8-15(14)22-16/h5-8,13H,9-12H2,1-4H3,(H,19,20)
InChIKeyZPQLOWGEGDUTNZ-UHFFFAOYSA-N
XLogP4.47
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine (CID 53345030) is N-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine is COC1CC(C)(C)CC(C)(CNc2nc3ccccc3o2)C1.
What is the InChIKey of N-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is ZPQLOWGEGDUTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-17(2)9-13(21-4)10-18(3,11-17)12-19-16-20-14-7-5-6-8-15(14)22-16/h5-8,13H,9-12H2,1-4H3,(H,19,20).
What are the key properties of N-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine?
N-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 302.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 53345030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).