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

C11H17N3O — CID 106562639

IUPAC1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1C1CCOCC1
InChIInChI=1S/C11H17N3O/c1-2-5-12-11-13-6-7-14(11)10-3-8-15-9-4-10/h2,6-7,10H,1,3-5,8-9H2,(H,12,13)
InChIKeyUAAYIJODWFBGJJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.83
Rot. Bonds4

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

1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106562639) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine
PubChem CID106562639
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1C1CCOCC1
InChIInChI=1S/C11H17N3O/c1-2-5-12-11-13-6-7-14(11)10-3-8-15-9-4-10/h2,6-7,10H,1,3-5,8-9H2,(H,12,13)
InChIKeyUAAYIJODWFBGJJ-UHFFFAOYSA-N
XLogP1.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4,4-dimethylcyclohexyl)-N-prop-2-enylimidazol-2-amine
CID 106574657
4-methyl-1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine
CID 106562626
N-ethyl-1-(oxolan-3-yl)imidazol-2-amine
CID 106577306
1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine
CID 106562783
1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine
CID 106571459
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-(1-cyclohexylethyl)-N-prop-2-enylimidazol-2-amine
CID 106571277
1-cyclopropyl-N-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560101
N-ethyl-1-(oxan-3-yl)imidazol-2-amine
CID 106573282
1-cyclopentyl-N-(2,3-dimethylbutyl)imidazol-2-amine
CID 106575250
1-[(1-methylpyrrolidin-3-yl)methyl]-N-prop-2-enylimidazol-2-amine
CID 106563055
N-benzyl-1-cyclopropylimidazol-2-amine
CID 106555906

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine (CID 106562639) is 1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is UAAYIJODWFBGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-5-12-11-13-6-7-14(11)10-3-8-15-9-4-10/h2,6-7,10H,1,3-5,8-9H2,(H,12,13).
What are the key properties of 1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine?
1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 207.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106562639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).