4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine

C11H20N4O — CID 63737207

IUPAC4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine
SMILESCC(C)c1nc(C2CCCOC2)c(N)n1N
InChIInChI=1S/C11H20N4O/c1-7(2)11-14-9(10(12)15(11)13)8-4-3-5-16-6-8/h7-8H,3-6,12-13H2,1-2H3
InChIKeyRYNOUBCLUDQRBM-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.20
Rot. Bonds2

About 4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine

4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine (PubChem CID 63737207) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine
PubChem CID63737207
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine
SMILESCC(C)c1nc(C2CCCOC2)c(N)n1N
InChIInChI=1S/C11H20N4O/c1-7(2)11-14-9(10(12)15(11)13)8-4-3-5-16-6-8/h7-8H,3-6,12-13H2,1-2H3
InChIKeyRYNOUBCLUDQRBM-UHFFFAOYSA-N
XLogP1.20
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(oxan-3-yl)-2-phenylimidazole-1,5-diamine
CID 63737203
3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine
CID 63737711
2-cyclohexyl-3-ethyl-5-(oxan-3-yl)imidazol-4-amine
CID 63739138
2-cyclohexyl-5-(oxan-3-yl)-3-propylimidazol-4-amine
CID 63739139
6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine
CID 83170571
2-cyclohexyl-5-(oxan-3-yl)-3-prop-2-enylimidazol-4-amine
CID 63737028
2-tert-butyl-4-(oxan-3-yl)-1,3-thiazol-5-amine
CID 63739305
2-ethyl-4-(oxan-3-yl)-1,3-thiazol-5-amine
CID 63737210
2-cyclohexyl-4-(oxan-4-yl)imidazole-1,5-diamine
CID 62506285
2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 63014392
4-methyl-3-(oxan-3-yl)-1,2,4-triazole
CID 115395411
1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63015287

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine?
The IUPAC name of 4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine (CID 63737207) is 4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine.
What is the SMILES notation for 4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine?
The canonical SMILES for 4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine is CC(C)c1nc(C2CCCOC2)c(N)n1N.
What is the InChIKey of 4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine?
The InChIKey is RYNOUBCLUDQRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)11-14-9(10(12)15(11)13)8-4-3-5-16-6-8/h7-8H,3-6,12-13H2,1-2H3.
What are the key properties of 4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine?
4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-3-yl)-2-propan-2-ylimidazole-1,5-diamine is sourced from PubChem (CID 63737207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).