N-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine

C15H26N6 — CID 23154823

IUPACN-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine
SMILESCn1ccn(C)c1=NCCCCCN=c1n(C)ccn1C
InChIInChI=1S/C15H26N6/c1-18-10-11-19(2)14(18)16-8-6-5-7-9-17-15-20(3)12-13-21(15)4/h10-13H,5-9H2,1-4H3
InChIKeyLMSRUJORFCEWRY-UHFFFAOYSA-N
MW290.42 g/mol
LogP0.71
Rot. Bonds6

About N-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine

N-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine (PubChem CID 23154823) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is N-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine.

Molecular Properties

Compound NameN-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine
PubChem CID23154823
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC NameN-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine
SMILESCn1ccn(C)c1=NCCCCCN=c1n(C)ccn1C
InChIInChI=1S/C15H26N6/c1-18-10-11-19(2)14(18)16-8-6-5-7-9-17-15-20(3)12-13-21(15)4/h10-13H,5-9H2,1-4H3
InChIKeyLMSRUJORFCEWRY-UHFFFAOYSA-N
XLogP0.71
TPSA44.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 50.71
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-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine?
The IUPAC name of N-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine (CID 23154823) is N-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine.
What is the SMILES notation for N-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine?
The canonical SMILES for N-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine is Cn1ccn(C)c1=NCCCCCN=c1n(C)ccn1C.
What is the InChIKey of N-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine?
The InChIKey is LMSRUJORFCEWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-18-10-11-19(2)14(18)16-8-6-5-7-9-17-15-20(3)12-13-21(15)4/h10-13H,5-9H2,1-4H3.
What are the key properties of N-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine?
N-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine has a molecular weight of 290.42 g/mol, XLogP of 0.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1,3-dimethylimidazol-2-ylidene)amino]pentyl]-1,3-dimethylimidazol-2-imine is sourced from PubChem (CID 23154823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).