1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine

C13H24N4O — CID 106570244

IUPAC1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NCCN1CCCC1
InChIInChI=1S/C13H24N4O/c1-12(11-18-2)17-10-6-15-13(17)14-5-9-16-7-3-4-8-16/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,14,15)
InChIKeyKNQKWAVIIKLCEI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.60
Rot. Bonds7

About 1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine

1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine (PubChem CID 106570244) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine
PubChem CID106570244
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NCCN1CCCC1
InChIInChI=1S/C13H24N4O/c1-12(11-18-2)17-10-6-15-13(17)14-5-9-16-7-3-4-8-16/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,14,15)
InChIKeyKNQKWAVIIKLCEI-UHFFFAOYSA-N
XLogP1.60
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.60
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-(2-pyrrolidin-1-ylethyl)imidazol-2-amine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine (CID 106570244) is 1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine is COCC(C)n1ccnc1NCCN1CCCC1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine?
The InChIKey is KNQKWAVIIKLCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-12(11-18-2)17-10-6-15-13(17)14-5-9-16-7-3-4-8-16/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,14,15).
What are the key properties of 1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine?
1-(1-methoxypropan-2-yl)-N-(2-pyrrolidin-1-ylethyl)imidazol-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.60, 7 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-(2-pyrrolidin-1-ylethyl)imidazol-2-amine is sourced from PubChem (CID 106570244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).