1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one

C12H23N3O — CID 106800526

IUPAC1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one
SMILESCCC(N)CCCn1ccn(C(C)C)c1=O
InChIInChI=1S/C12H23N3O/c1-4-11(13)6-5-7-14-8-9-15(10(2)3)12(14)16/h8-11H,4-7,13H2,1-3H3
InChIKeyAATKSEIDIYDRGA-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.75
Rot. Bonds6

About 1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one

1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one (PubChem CID 106800526) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one
PubChem CID106800526
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one
SMILESCCC(N)CCCn1ccn(C(C)C)c1=O
InChIInChI=1S/C12H23N3O/c1-4-11(13)6-5-7-14-8-9-15(10(2)3)12(14)16/h8-11H,4-7,13H2,1-3H3
InChIKeyAATKSEIDIYDRGA-UHFFFAOYSA-N
XLogP1.75
TPSA52.95 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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one (CID 106800526) is 1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one is CCC(N)CCCn1ccn(C(C)C)c1=O.
What is the InChIKey of 1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is AATKSEIDIYDRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-11(13)6-5-7-14-8-9-15(10(2)3)12(14)16/h8-11H,4-7,13H2,1-3H3.
What are the key properties of 1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one?
1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 225.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 106800526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).