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

C15H26N6 — CID 23154819

IUPACN-[3-[(1,3-dimethylimidazol-2-ylidene)amino]-2,2-dimethylpropyl]-1,3-dimethylimidazol-2-imine
SMILESCn1ccn(C)c1=NCC(C)(C)CN=c1n(C)ccn1C
InChIInChI=1S/C15H26N6/c1-15(2,11-16-13-18(3)7-8-19(13)4)12-17-14-20(5)9-10-21(14)6/h7-10H,11-12H2,1-6H3
InChIKeyPDBBKFXTGQFTSL-UHFFFAOYSA-N
MW290.42 g/mol
LogP0.57
Rot. Bonds4

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

N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]-2,2-dimethylpropyl]-1,3-dimethylimidazol-2-imine (PubChem CID 23154819) has the molecular formula C15H26N6 and a molecular weight of 290.42 g/mol. Its IUPAC name is N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]-2,2-dimethylpropyl]-1,3-dimethylimidazol-2-imine.

Molecular Properties

Compound NameN-[3-[(1,3-dimethylimidazol-2-ylidene)amino]-2,2-dimethylpropyl]-1,3-dimethylimidazol-2-imine
PubChem CID23154819
Molecular FormulaC15H26N6
Molecular Weight290.42 g/mol
Exact Mass290.22
IUPAC NameN-[3-[(1,3-dimethylimidazol-2-ylidene)amino]-2,2-dimethylpropyl]-1,3-dimethylimidazol-2-imine
SMILESCn1ccn(C)c1=NCC(C)(C)CN=c1n(C)ccn1C
InChIInChI=1S/C15H26N6/c1-15(2,11-16-13-18(3)7-8-19(13)4)12-17-14-20(5)9-10-21(14)6/h7-10H,11-12H2,1-6H3
InChIKeyPDBBKFXTGQFTSL-UHFFFAOYSA-N
XLogP0.57
TPSA44.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]-2,2-dimethylpropyl]-1,3-dimethylimidazol-2-imine?
The IUPAC name of N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]-2,2-dimethylpropyl]-1,3-dimethylimidazol-2-imine (CID 23154819) is N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]-2,2-dimethylpropyl]-1,3-dimethylimidazol-2-imine.
What is the SMILES notation for N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]-2,2-dimethylpropyl]-1,3-dimethylimidazol-2-imine?
The canonical SMILES for N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]-2,2-dimethylpropyl]-1,3-dimethylimidazol-2-imine is Cn1ccn(C)c1=NCC(C)(C)CN=c1n(C)ccn1C.
What is the InChIKey of N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]-2,2-dimethylpropyl]-1,3-dimethylimidazol-2-imine?
The InChIKey is PDBBKFXTGQFTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-15(2,11-16-13-18(3)7-8-19(13)4)12-17-14-20(5)9-10-21(14)6/h7-10H,11-12H2,1-6H3.
What are the key properties of N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]-2,2-dimethylpropyl]-1,3-dimethylimidazol-2-imine?
N-[3-[(1,3-dimethylimidazol-2-ylidene)amino]-2,2-dimethylpropyl]-1,3-dimethylimidazol-2-imine has a molecular weight of 290.42 g/mol, XLogP of 0.57, 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]-2,2-dimethylpropyl]-1,3-dimethylimidazol-2-imine is sourced from PubChem (CID 23154819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).