N-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine

C15H23N3 — CID 129088197

IUPACN-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine
SMILESCCCCc1ccc(N=C2N(C)CCN2C)cc1
InChIInChI=1S/C15H23N3/c1-4-5-6-13-7-9-14(10-8-13)16-15-17(2)11-12-18(15)3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyGILZMYLBUVAOLZ-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.89
Rot. Bonds4

About N-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine

N-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine (PubChem CID 129088197) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine.

Molecular Properties

Compound NameN-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine
PubChem CID129088197
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine
SMILESCCCCc1ccc(N=C2N(C)CCN2C)cc1
InChIInChI=1S/C15H23N3/c1-4-5-6-13-7-9-14(10-8-13)16-15-17(2)11-12-18(15)3/h7-10H,4-6,11-12H2,1-3H3
InChIKeyGILZMYLBUVAOLZ-UHFFFAOYSA-N
XLogP2.89
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine?
The IUPAC name of N-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine (CID 129088197) is N-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine.
What is the SMILES notation for N-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine?
The canonical SMILES for N-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine is CCCCc1ccc(N=C2N(C)CCN2C)cc1.
What is the InChIKey of N-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine?
The InChIKey is GILZMYLBUVAOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-5-6-13-7-9-14(10-8-13)16-15-17(2)11-12-18(15)3/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of N-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine?
N-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine has a molecular weight of 245.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1,3-dimethylimidazolidin-2-imine is sourced from PubChem (CID 129088197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).