(4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one

C9H17N3O — CID 10487713

IUPAC(4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one
SMILESCNCCCC1=N[C@H](C)C(=O)N1C
InChIInChI=1S/C9H17N3O/c1-7-9(13)12(3)8(11-7)5-4-6-10-2/h7,10H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyJFWKUHJPPJDDRK-SSDOTTSWSA-N
MW183.25 g/mol
LogP0.25
Rot. Bonds4

About (4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one

(4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one (PubChem CID 10487713) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one.

Molecular Properties

Compound Name(4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one
PubChem CID10487713
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one
SMILESCNCCCC1=N[C@H](C)C(=O)N1C
InChIInChI=1S/C9H17N3O/c1-7-9(13)12(3)8(11-7)5-4-6-10-2/h7,10H,4-6H2,1-3H3/t7-/m1/s1
InChIKeyJFWKUHJPPJDDRK-SSDOTTSWSA-N
XLogP0.25
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one?
The IUPAC name of (4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one (CID 10487713) is (4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one.
What is the SMILES notation for (4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one?
The canonical SMILES for (4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one is CNCCCC1=N[C@H](C)C(=O)N1C.
What is the InChIKey of (4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one?
The InChIKey is JFWKUHJPPJDDRK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7-9(13)12(3)8(11-7)5-4-6-10-2/h7,10H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of (4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one?
(4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one has a molecular weight of 183.25 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,4-dimethyl-2-[3-(methylamino)propyl]-4H-imidazol-5-one is sourced from PubChem (CID 10487713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).