1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine

C11H19N3O — CID 106581296

IUPAC1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1CC(C)(C)OC
InChIInChI=1S/C11H19N3O/c1-5-6-12-10-13-7-8-14(10)9-11(2,3)15-4/h5,7-8H,1,6,9H2,2-4H3,(H,12,13)
InChIKeyJKQLLEFXUMTJPF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.91
Rot. Bonds6

About 1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine

1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106581296) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
PubChem CID106581296
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1CC(C)(C)OC
InChIInChI=1S/C11H19N3O/c1-5-6-12-10-13-7-8-14(10)9-11(2,3)15-4/h5,7-8H,1,6,9H2,2-4H3,(H,12,13)
InChIKeyJKQLLEFXUMTJPF-UHFFFAOYSA-N
XLogP1.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.91
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-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 54962119
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-1-amine
CID 55048427
4-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 61882330
N-[(1-propylimidazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63827486
3-imidazol-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 63828763
N-[[1-[2-(trifluoromethoxy)ethyl]imidazol-2-yl]methyl]propan-1-amine
CID 65805680
1-imidazol-1-yl-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 65806037
4-imidazol-1-yl-N-[2-(trifluoromethoxy)ethyl]butan-1-amine
CID 65806042
2-methyl-N-[[1-[2-(trifluoromethoxy)ethyl]imidazol-2-yl]methyl]propan-1-amine
CID 66402694
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]methyl]propan-1-amine
CID 66402879
2-methoxy-N-[[1-(3,3,3-trifluoropropyl)imidazol-2-yl]methyl]ethanamine
CID 66403631
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methoxypropan-1-amine
CID 102697996

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine (CID 106581296) is 1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1CC(C)(C)OC.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is JKQLLEFXUMTJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-6-12-10-13-7-8-14(10)9-11(2,3)15-4/h5,7-8H,1,6,9H2,2-4H3,(H,12,13).
What are the key properties of 1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine?
1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106581296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).