N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine

C15H22N6 — CID 101458660

IUPACN-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine
SMILESCn1ccnc1/C=N/CC(C)(C)C/N=C/c1nccn1C
InChIInChI=1S/C15H22N6/c1-15(2,11-16-9-13-18-5-7-20(13)3)12-17-10-14-19-6-8-21(14)4/h5-10H,11-12H2,1-4H3/b16-9+,17-10+
InChIKeyULBOCBPUMKHAMB-CZCYGEDCSA-N
MW286.38 g/mol
LogP1.72
Rot. Bonds6

About N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine

N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine (PubChem CID 101458660) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine
PubChem CID101458660
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine
SMILESCn1ccnc1/C=N/CC(C)(C)C/N=C/c1nccn1C
InChIInChI=1S/C15H22N6/c1-15(2,11-16-9-13-18-5-7-20(13)3)12-17-10-14-19-6-8-21(14)4/h5-10H,11-12H2,1-4H3/b16-9+,17-10+
InChIKeyULBOCBPUMKHAMB-CZCYGEDCSA-N
XLogP1.72
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1-methylimidazol-2-yl)methylideneamino]-1-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 163675809
(E)-1-(1-methylimidazol-2-yl)-N-propan-2-yloxymethanimine
CID 59340385
N-ethenyl-1-(1-methylimidazol-2-yl)methanimine;2-methylpropane
CID 177189399
3-(1-methylimidazol-2-yl)prop-2-enal
CID 131852628
dicopper;methanol;N-[(R)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;N-[(S)-methoxy-(1-methylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methylideneamino]ethanamine;tetraperchlorate
CID 139168798
1-methyl-2-prop-1-enylimidazole;hydroiodide
CID 175574352
N-ethyl-N-methyl-4-[(1-methylimidazol-2-yl)methylideneamino]aniline
CID 138494759
1-(1-methylimidazol-2-yl)-N-[4-[3-[(1-methylimidazol-2-yl)methylideneamino]-5-[4-[(1-methylimidazol-2-yl)methylideneamino]phenyl]phenyl]phenyl]methanimine
CID 122212512
4-(1-methylimidazol-2-yl)but-3-en-1-ol
CID 170475975
4-(1-methylimidazol-2-yl)but-3-ene-1-thiol
CID 170477706
3,4-dimethyl-N-[(1-methylimidazol-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 69054615
2-(3-azidoprop-1-enyl)-1-methylimidazole
CID 169461225

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine?
The IUPAC name of N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine (CID 101458660) is N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine.
What is the SMILES notation for N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine?
The canonical SMILES for N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine is Cn1ccnc1/C=N/CC(C)(C)C/N=C/c1nccn1C.
What is the InChIKey of N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine?
The InChIKey is ULBOCBPUMKHAMB-CZCYGEDCSA-N. The full InChI is InChI=1S/C15H22N6/c1-15(2,11-16-9-13-18-5-7-20(13)3)12-17-10-14-19-6-8-21(14)4/h5-10H,11-12H2,1-4H3/b16-9+,17-10+.
What are the key properties of N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine?
N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine has a molecular weight of 286.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylideneamino]propyl]-1-(1-methylimidazol-2-yl)methanimine is sourced from PubChem (CID 101458660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).