oxan-3-yl-(1-propylimidazol-2-yl)methanamine

C12H21N3O — CID 65332241

IUPACoxan-3-yl-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)C1CCCOC1
InChIInChI=1S/C12H21N3O/c1-2-6-15-7-5-14-12(15)11(13)10-4-3-8-16-9-10/h5,7,10-11H,2-4,6,8-9,13H2,1H3
InChIKeyXJLXSZHIBOQJRH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds4

About oxan-3-yl-(1-propylimidazol-2-yl)methanamine

oxan-3-yl-(1-propylimidazol-2-yl)methanamine (PubChem CID 65332241) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is oxan-3-yl-(1-propylimidazol-2-yl)methanamine.

Molecular Properties

Compound Nameoxan-3-yl-(1-propylimidazol-2-yl)methanamine
PubChem CID65332241
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Nameoxan-3-yl-(1-propylimidazol-2-yl)methanamine
SMILESCCCn1ccnc1C(N)C1CCCOC1
InChIInChI=1S/C12H21N3O/c1-2-6-15-7-5-14-12(15)11(13)10-4-3-8-16-9-10/h5,7,10-11H,2-4,6,8-9,13H2,1H3
InChIKeyXJLXSZHIBOQJRH-UHFFFAOYSA-N
XLogP1.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-3-yl-(1-propylimidazol-2-yl)methanamine?
The IUPAC name of oxan-3-yl-(1-propylimidazol-2-yl)methanamine (CID 65332241) is oxan-3-yl-(1-propylimidazol-2-yl)methanamine.
What is the SMILES notation for oxan-3-yl-(1-propylimidazol-2-yl)methanamine?
The canonical SMILES for oxan-3-yl-(1-propylimidazol-2-yl)methanamine is CCCn1ccnc1C(N)C1CCCOC1.
What is the InChIKey of oxan-3-yl-(1-propylimidazol-2-yl)methanamine?
The InChIKey is XJLXSZHIBOQJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-6-15-7-5-14-12(15)11(13)10-4-3-8-16-9-10/h5,7,10-11H,2-4,6,8-9,13H2,1H3.
What are the key properties of oxan-3-yl-(1-propylimidazol-2-yl)methanamine?
oxan-3-yl-(1-propylimidazol-2-yl)methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-yl-(1-propylimidazol-2-yl)methanamine is sourced from PubChem (CID 65332241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).