1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine

C11H21N3 — CID 123735888

IUPAC1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine
SMILESCCC(C)n1c(C)c(C)n(C)/c1=N\C
InChIInChI=1S/C11H21N3/c1-7-8(2)14-10(4)9(3)13(6)11(14)12-5/h8H,7H2,1-6H3/b12-11+
InChIKeyJQDATYFTOCKKBB-VAWYXSNFSA-N
MW195.31 g/mol
LogP1.94
Rot. Bonds2

About 1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine

1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine (PubChem CID 123735888) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine.

Molecular Properties

Compound Name1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine
PubChem CID123735888
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine
SMILESCCC(C)n1c(C)c(C)n(C)/c1=N\C
InChIInChI=1S/C11H21N3/c1-7-8(2)14-10(4)9(3)13(6)11(14)12-5/h8H,7H2,1-6H3/b12-11+
InChIKeyJQDATYFTOCKKBB-VAWYXSNFSA-N
XLogP1.94
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4,5-tetramethyl-2H-imidazol-1-ium-2-ide
CID 5232550
1,3-diethyl-4,5-dimethyl-2H-imidazol-1-ium-2-ide
CID 10909768
4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide
CID 11043492
4,5-Dimethyl-1,3-di(propan-2-yl)-1,3-dihydro-2H-imidazol-2-imine
CID 16105081
1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine
CID 135041239
N,1,3,4,5-pentamethylimidazol-2-imine
CID 89449600
1,3-di(butan-2-yl)-4,5-dimethyl-N-propan-2-ylimidazol-2-imine
CID 138581154
4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide bromide
CID 11043491
N-tert-butyl-1,3-bis(2,2-dimethylpropyl)-4,5-dimethylimidazol-2-imine
CID 101567112
4,5-dimethyl-N,1,3-tri(propan-2-yl)imidazol-2-imine
CID 101567113
N-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-2-imine
CID 101567114
N,4,5-trimethyl-1,3-di(propan-2-yl)imidazol-2-imine
CID 101567115

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine?
The IUPAC name of 1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine (CID 123735888) is 1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine.
What is the SMILES notation for 1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine?
The canonical SMILES for 1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine is CCC(C)n1c(C)c(C)n(C)/c1=N\C.
What is the InChIKey of 1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine?
The InChIKey is JQDATYFTOCKKBB-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N3/c1-7-8(2)14-10(4)9(3)13(6)11(14)12-5/h8H,7H2,1-6H3/b12-11+.
What are the key properties of 1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine?
1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine has a molecular weight of 195.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine is sourced from PubChem (CID 123735888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).