1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine

C14H25N3O — CID 106573164

IUPAC1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCc1cn(CCOC2CCCC2)c(NC(C)C)n1
InChIInChI=1S/C14H25N3O/c1-11(2)15-14-16-12(3)10-17(14)8-9-18-13-6-4-5-7-13/h10-11,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyNJUYCJRKPYXPJH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.97
Rot. Bonds6

About 1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine

1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine (PubChem CID 106573164) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine
PubChem CID106573164
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCc1cn(CCOC2CCCC2)c(NC(C)C)n1
InChIInChI=1S/C14H25N3O/c1-11(2)15-14-16-12(3)10-17(14)8-9-18-13-6-4-5-7-13/h10-11,13H,4-9H2,1-3H3,(H,15,16)
InChIKeyNJUYCJRKPYXPJH-UHFFFAOYSA-N
XLogP2.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine (CID 106573164) is 1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine is Cc1cn(CCOC2CCCC2)c(NC(C)C)n1.
What is the InChIKey of 1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The InChIKey is NJUYCJRKPYXPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)15-14-16-12(3)10-17(14)8-9-18-13-6-4-5-7-13/h10-11,13H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine?
1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxyethyl)-4-methyl-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106573164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).