(4-methylphenyl) N,N-diethylcarbamimidate

C12H18N2O — CID 134892041

IUPAC(4-methylphenyl) N,N-diethylcarbamimidate
SMILES[H]/N=C(/Oc1ccc(C)cc1)N(CC)CC
InChIInChI=1S/C12H18N2O/c1-4-14(5-2)12(13)15-11-8-6-10(3)7-9-11/h6-9,13H,4-5H2,1-3H3/b13-12+
InChIKeyJCXGLNVRUBJCIV-OUKQBFOZSA-N
MW206.29 g/mol
LogP2.65
Rot. Bonds3

About (4-methylphenyl) N,N-diethylcarbamimidate

(4-methylphenyl) N,N-diethylcarbamimidate (PubChem CID 134892041) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (4-methylphenyl) N,N-diethylcarbamimidate.

Molecular Properties

Compound Name(4-methylphenyl) N,N-diethylcarbamimidate
PubChem CID134892041
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(4-methylphenyl) N,N-diethylcarbamimidate
SMILES[H]/N=C(/Oc1ccc(C)cc1)N(CC)CC
InChIInChI=1S/C12H18N2O/c1-4-14(5-2)12(13)15-11-8-6-10(3)7-9-11/h6-9,13H,4-5H2,1-3H3/b13-12+
InChIKeyJCXGLNVRUBJCIV-OUKQBFOZSA-N
XLogP2.65
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N,N-diethylcarbamimidate?
The IUPAC name of (4-methylphenyl) N,N-diethylcarbamimidate (CID 134892041) is (4-methylphenyl) N,N-diethylcarbamimidate.
What is the SMILES notation for (4-methylphenyl) N,N-diethylcarbamimidate?
The canonical SMILES for (4-methylphenyl) N,N-diethylcarbamimidate is [H]/N=C(/Oc1ccc(C)cc1)N(CC)CC.
What is the InChIKey of (4-methylphenyl) N,N-diethylcarbamimidate?
The InChIKey is JCXGLNVRUBJCIV-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-14(5-2)12(13)15-11-8-6-10(3)7-9-11/h6-9,13H,4-5H2,1-3H3/b13-12+.
What are the key properties of (4-methylphenyl) N,N-diethylcarbamimidate?
(4-methylphenyl) N,N-diethylcarbamimidate has a molecular weight of 206.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) N,N-diethylcarbamimidate is sourced from PubChem (CID 134892041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).