1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one

C13H25N3O — CID 80579409

IUPAC1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCCC(C)(C)CN)c1=O
InChIInChI=1S/C13H25N3O/c1-11(2)16-9-8-15(12(16)17)7-5-6-13(3,4)10-14/h8-9,11H,5-7,10,14H2,1-4H3
InChIKeyPRABEVKSVZDPPE-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.00
Rot. Bonds6

About 1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one

1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one (PubChem CID 80579409) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one
PubChem CID80579409
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCCC(C)(C)CN)c1=O
InChIInChI=1S/C13H25N3O/c1-11(2)16-9-8-15(12(16)17)7-5-6-13(3,4)10-14/h8-9,11H,5-7,10,14H2,1-4H3
InChIKeyPRABEVKSVZDPPE-UHFFFAOYSA-N
XLogP2.00
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one (CID 80579409) is 1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(CCCC(C)(C)CN)c1=O.
What is the InChIKey of 1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one?
The InChIKey is PRABEVKSVZDPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(2)16-9-8-15(12(16)17)7-5-6-13(3,4)10-14/h8-9,11H,5-7,10,14H2,1-4H3.
What are the key properties of 1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one?
1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one has a molecular weight of 239.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4,4-dimethylpentyl)-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80579409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).