N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine

C13H22N6 — CID 23154820

IUPACN-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine
SMILESCn1ccn(C)c1=NCCCN=c1n(C)ccn1C
InChIInChI=1S/C13H22N6/c1-16-8-9-17(2)12(16)14-6-5-7-15-13-18(3)10-11-19(13)4/h8-11H,5-7H2,1-4H3
InChIKeyGRRYCHBROWDNBV-UHFFFAOYSA-N
MW262.36 g/mol
LogP-0.07
Rot. Bonds4

About N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine

N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine (PubChem CID 23154820) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine.

Molecular Properties

Compound NameN-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine
PubChem CID23154820
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC NameN-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine
SMILESCn1ccn(C)c1=NCCCN=c1n(C)ccn1C
InChIInChI=1S/C13H22N6/c1-16-8-9-17(2)12(16)14-6-5-7-15-13-18(3)10-11-19(13)4/h8-11H,5-7H2,1-4H3
InChIKeyGRRYCHBROWDNBV-UHFFFAOYSA-N
XLogP-0.07
TPSA44.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine?
The IUPAC name of N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine (CID 23154820) is N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine.
What is the SMILES notation for N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine?
The canonical SMILES for N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine is Cn1ccn(C)c1=NCCCN=c1n(C)ccn1C.
What is the InChIKey of N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine?
The InChIKey is GRRYCHBROWDNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-16-8-9-17(2)12(16)14-6-5-7-15-13-18(3)10-11-19(13)4/h8-11H,5-7H2,1-4H3.
What are the key properties of N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine?
N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine has a molecular weight of 262.36 g/mol, XLogP of -0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]propyl]-1,3-dimethylimidazol-2-imine is sourced from PubChem (CID 23154820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).