2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine

C16H27N3O — CID 63739138

IUPAC2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine
SMILESCCn1c(C2CCCCC2)nc(C2CCCOC2)c1N
InChIInChI=1S/C16H27N3O/c1-2-19-15(17)14(13-9-6-10-20-11-13)18-16(19)12-7-4-3-5-8-12/h12-13H,2-11,17H2,1H3
InChIKeyMYIWHEJDTODYOJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.43
Rot. Bonds3

About 2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine

2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine (PubChem CID 63739138) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine
PubChem CID63739138
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine
SMILESCCn1c(C2CCCCC2)nc(C2CCCOC2)c1N
InChIInChI=1S/C16H27N3O/c1-2-19-15(17)14(13-9-6-10-20-11-13)18-16(19)12-7-4-3-5-8-12/h12-13H,2-11,17H2,1H3
InChIKeyMYIWHEJDTODYOJ-UHFFFAOYSA-N
XLogP3.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine?
The IUPAC name of 2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine (CID 63739138) is 2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine.
What is the SMILES notation for 2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine?
The canonical SMILES for 2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine is CCn1c(C2CCCCC2)nc(C2CCCOC2)c1N.
What is the InChIKey of 2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine?
The InChIKey is MYIWHEJDTODYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-19-15(17)14(13-9-6-10-20-11-13)18-16(19)12-7-4-3-5-8-12/h12-13H,2-11,17H2,1H3.
What are the key properties of 2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine?
2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine has a molecular weight of 277.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine is sourced from PubChem (CID 63739138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).