1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine

C12H23N3O — CID 106566653

IUPAC1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCOCC(C)Cn1cc(C)nc1NC(C)C
InChIInChI=1S/C12H23N3O/c1-9(2)13-12-14-11(4)7-15(12)6-10(3)8-16-5/h7,9-10H,6,8H2,1-5H3,(H,13,14)
InChIKeyQGKGVQKWGMDXND-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.29
Rot. Bonds6

About 1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine

1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine (PubChem CID 106566653) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine
PubChem CID106566653
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCOCC(C)Cn1cc(C)nc1NC(C)C
InChIInChI=1S/C12H23N3O/c1-9(2)13-12-14-11(4)7-15(12)6-10(3)8-16-5/h7,9-10H,6,8H2,1-5H3,(H,13,14)
InChIKeyQGKGVQKWGMDXND-UHFFFAOYSA-N
XLogP2.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine (CID 106566653) is 1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine is COCC(C)Cn1cc(C)nc1NC(C)C.
What is the InChIKey of 1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The InChIKey is QGKGVQKWGMDXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)13-12-14-11(4)7-15(12)6-10(3)8-16-5/h7,9-10H,6,8H2,1-5H3,(H,13,14).
What are the key properties of 1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine has a molecular weight of 225.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-methylpropyl)-4-methyl-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106566653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).