ethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one

C12H24N4O — CID 143217146

IUPACethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one
SMILESCCCNCCCn1c(C)c[nH]c1=O.[H]/N=C/C
InChIInChI=1S/C10H19N3O.C2H5N/c1-3-5-11-6-4-7-13-9(2)8-12-10(13)14;1-2-3/h8,11H,3-7H2,1-2H3,(H,12,14);2-3H,1H3/b;3-2+
InChIKeyQKYWWNJIXSAZKD-ZPYUXNTASA-N
MW240.35 g/mol
LogP1.53
Rot. Bonds6

About ethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one

ethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one (PubChem CID 143217146) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is ethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one.

Molecular Properties

Compound Nameethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one
PubChem CID143217146
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Nameethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one
SMILESCCCNCCCn1c(C)c[nH]c1=O.[H]/N=C/C
InChIInChI=1S/C10H19N3O.C2H5N/c1-3-5-11-6-4-7-13-9(2)8-12-10(13)14;1-2-3/h8,11H,3-7H2,1-2H3,(H,12,14);2-3H,1H3/b;3-2+
InChIKeyQKYWWNJIXSAZKD-ZPYUXNTASA-N
XLogP1.53
TPSA73.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one?
The IUPAC name of ethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one (CID 143217146) is ethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one.
What is the SMILES notation for ethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one?
The canonical SMILES for ethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one is CCCNCCCn1c(C)c[nH]c1=O.[H]/N=C/C.
What is the InChIKey of ethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one?
The InChIKey is QKYWWNJIXSAZKD-ZPYUXNTASA-N. The full InChI is InChI=1S/C10H19N3O.C2H5N/c1-3-5-11-6-4-7-13-9(2)8-12-10(13)14;1-2-3/h8,11H,3-7H2,1-2H3,(H,12,14);2-3H,1H3/b;3-2+.
What are the key properties of ethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one?
ethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one has a molecular weight of 240.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanimine;4-methyl-3-[3-(propylamino)propyl]-1H-imidazol-2-one is sourced from PubChem (CID 143217146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).