3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine

C12H21N3O — CID 63737711

IUPAC3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine
SMILESCCCc1nc(C2CCCOC2)c(N)n1C
InChIInChI=1S/C12H21N3O/c1-3-5-10-14-11(12(13)15(10)2)9-6-4-7-16-8-9/h9H,3-8,13H2,1-2H3
InChIKeyKTHHDNXFPIWUNZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.85
Rot. Bonds3

About 3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine

3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine (PubChem CID 63737711) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine
PubChem CID63737711
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine
SMILESCCCc1nc(C2CCCOC2)c(N)n1C
InChIInChI=1S/C12H21N3O/c1-3-5-10-14-11(12(13)15(10)2)9-6-4-7-16-8-9/h9H,3-8,13H2,1-2H3
InChIKeyKTHHDNXFPIWUNZ-UHFFFAOYSA-N
XLogP1.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine?
The IUPAC name of 3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine (CID 63737711) is 3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine.
What is the SMILES notation for 3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine?
The canonical SMILES for 3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine is CCCc1nc(C2CCCOC2)c(N)n1C.
What is the InChIKey of 3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine?
The InChIKey is KTHHDNXFPIWUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-5-10-14-11(12(13)15(10)2)9-6-4-7-16-8-9/h9H,3-8,13H2,1-2H3.
What are the key properties of 3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine?
3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(oxan-3-yl)-2-propylimidazol-4-amine is sourced from PubChem (CID 63737711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).