4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine

C12H19N3O — CID 106562626

IUPAC4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1C1CCOCC1
InChIInChI=1S/C12H19N3O/c1-3-6-13-12-14-10(2)9-15(12)11-4-7-16-8-5-11/h3,9,11H,1,4-8H2,2H3,(H,13,14)
InChIKeyWZUDGACVPKKXCV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.14
Rot. Bonds4

About 4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine

4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106562626) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine
PubChem CID106562626
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1C1CCOCC1
InChIInChI=1S/C12H19N3O/c1-3-6-13-12-14-10(2)9-15(12)11-4-7-16-8-5-11/h3,9,11H,1,4-8H2,2H3,(H,13,14)
InChIKeyWZUDGACVPKKXCV-UHFFFAOYSA-N
XLogP2.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine (CID 106562626) is 4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1C1CCOCC1.
What is the InChIKey of 4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is WZUDGACVPKKXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-6-13-12-14-10(2)9-15(12)11-4-7-16-8-5-11/h3,9,11H,1,4-8H2,2H3,(H,13,14).
What are the key properties of 4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine?
4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106562626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).