N-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine

C14H24N6 — CID 23154882

IUPACN-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine
SMILESCn1ccn(C)c1=NCCCCN=c1n(C)ccn1C
InChIInChI=1S/C14H24N6/c1-17-9-10-18(2)13(17)15-7-5-6-8-16-14-19(3)11-12-20(14)4/h9-12H,5-8H2,1-4H3
InChIKeyRBQHKWDDDZTLPK-UHFFFAOYSA-N
MW276.39 g/mol
LogP0.32
Rot. Bonds5

About N-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine

N-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine (PubChem CID 23154882) has the molecular formula C14H24N6 and a molecular weight of 276.39 g/mol. Its IUPAC name is N-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine.

Molecular Properties

Compound NameN-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine
PubChem CID23154882
Molecular FormulaC14H24N6
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC NameN-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine
SMILESCn1ccn(C)c1=NCCCCN=c1n(C)ccn1C
InChIInChI=1S/C14H24N6/c1-17-9-10-18(2)13(17)15-7-5-6-8-16-14-19(3)11-12-20(14)4/h9-12H,5-8H2,1-4H3
InChIKeyRBQHKWDDDZTLPK-UHFFFAOYSA-N
XLogP0.32
TPSA44.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.32
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-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine?
The IUPAC name of N-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine (CID 23154882) is N-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine.
What is the SMILES notation for N-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine?
The canonical SMILES for N-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine is Cn1ccn(C)c1=NCCCCN=c1n(C)ccn1C.
What is the InChIKey of N-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine?
The InChIKey is RBQHKWDDDZTLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6/c1-17-9-10-18(2)13(17)15-7-5-6-8-16-14-19(3)11-12-20(14)4/h9-12H,5-8H2,1-4H3.
What are the key properties of N-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine?
N-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine has a molecular weight of 276.39 g/mol, XLogP of 0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,3-dimethylimidazol-2-ylidene)amino]butyl]-1,3-dimethylimidazol-2-imine is sourced from PubChem (CID 23154882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).