1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine

C16H28N6 — CID 102168456

IUPAC1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine
SMILESCc1c(C)n(C)c(=NCCN=c2n(C)c(C)c(C)n2C)n1C
InChIInChI=1S/C16H28N6/c1-11-12(2)20(6)15(19(11)5)17-9-10-18-16-21(7)13(3)14(4)22(16)8/h9-10H2,1-8H3
InChIKeyKTXAKLVUZKWZSM-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.78
Rot. Bonds3

About 1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine

1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine (PubChem CID 102168456) has the molecular formula C16H28N6 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine.

Molecular Properties

Compound Name1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine
PubChem CID102168456
Molecular FormulaC16H28N6
Molecular Weight304.44 g/mol
Exact Mass304.24
IUPAC Name1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine
SMILESCc1c(C)n(C)c(=NCCN=c2n(C)c(C)c(C)n2C)n1C
InChIInChI=1S/C16H28N6/c1-11-12(2)20(6)15(19(11)5)17-9-10-18-16-21(7)13(3)14(4)22(16)8/h9-10H2,1-8H3
InChIKeyKTXAKLVUZKWZSM-UHFFFAOYSA-N
XLogP0.78
TPSA44.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.78
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 1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine?
The IUPAC name of 1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine (CID 102168456) is 1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine.
What is the SMILES notation for 1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine?
The canonical SMILES for 1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine is Cc1c(C)n(C)c(=NCCN=c2n(C)c(C)c(C)n2C)n1C.
What is the InChIKey of 1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine?
The InChIKey is KTXAKLVUZKWZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6/c1-11-12(2)20(6)15(19(11)5)17-9-10-18-16-21(7)13(3)14(4)22(16)8/h9-10H2,1-8H3.
What are the key properties of 1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine?
1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine has a molecular weight of 304.44 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5-tetramethyl-N-[2-[(1,3,4,5-tetramethylimidazol-2-ylidene)amino]ethyl]imidazol-2-imine is sourced from PubChem (CID 102168456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).