1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine

C12H22N4O — CID 106566534

IUPAC1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NC1CCN(C)C1
InChIInChI=1S/C12H22N4O/c1-10(9-17-3)16-7-5-13-12(16)14-11-4-6-15(2)8-11/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,13,14)
InChIKeyQXKSVCSHDLWMLD-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.21
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine

1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine (PubChem CID 106566534) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
PubChem CID106566534
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NC1CCN(C)C1
InChIInChI=1S/C12H22N4O/c1-10(9-17-3)16-7-5-13-12(16)14-11-4-6-15(2)8-11/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,13,14)
InChIKeyQXKSVCSHDLWMLD-UHFFFAOYSA-N
XLogP1.21
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine (CID 106566534) is 1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine is COCC(C)n1ccnc1NC1CCN(C)C1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
The InChIKey is QXKSVCSHDLWMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(9-17-3)16-7-5-13-12(16)14-11-4-6-15(2)8-11/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,13,14).
What are the key properties of 1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine?
1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine has a molecular weight of 238.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-N-(1-methylpyrrolidin-3-yl)imidazol-2-amine is sourced from PubChem (CID 106566534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).