1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine

C11H21N3 — CID 135041239

IUPAC1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine
SMILESCc1cn(C)/c(=N\C(C)C)n1C(C)C
InChIInChI=1S/C11H21N3/c1-8(2)12-11-13(6)7-10(5)14(11)9(3)4/h7-9H,1-6H3/b12-11+
InChIKeyNSAYBKXWWAWQAH-VAWYXSNFSA-N
MW195.31 g/mol
LogP2.03
Rot. Bonds2

About 1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine

1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine (PubChem CID 135041239) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine.

Molecular Properties

Compound Name1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine
PubChem CID135041239
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine
SMILESCc1cn(C)/c(=N\C(C)C)n1C(C)C
InChIInChI=1S/C11H21N3/c1-8(2)12-11-13(6)7-10(5)14(11)9(3)4/h7-9H,1-6H3/b12-11+
InChIKeyNSAYBKXWWAWQAH-VAWYXSNFSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1,3-Diisopropyl-1,3-dihydro-2H-imidazol-2-ylidene
CID 15953579
rhodium;1,3,4-trimethyl-2H-imidazol-3-ium-2-ide
CID 155289265
N,1,3,4-tetramethylimidazol-2-imine
CID 22091885
1,2,4-trimethyl-3-propan-2-yl-2H-imidazole
CID 23077196
2,3,4-trimethyl-1-propan-2-yl-2H-imidazole
CID 23077214
1,4-dimethyl-3-propan-2-yl-2H-imidazole
CID 66701670
1-butan-2-yl-N,3,4,5-tetramethylimidazol-2-imine
CID 123735888
N-methyl-1,3-di(propan-2-yl)imidazol-2-imine
CID 155619134
N,1-dimethyl-3-propan-2-ylimidazol-2-imine
CID 157931377
1,1,2,3-Tetramethyl-3-prop-1-en-2-ylguanidine
CID 164011874

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine?
The IUPAC name of 1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine (CID 135041239) is 1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine.
What is the SMILES notation for 1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine?
The canonical SMILES for 1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine is Cc1cn(C)/c(=N\C(C)C)n1C(C)C.
What is the InChIKey of 1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine?
The InChIKey is NSAYBKXWWAWQAH-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(2)12-11-13(6)7-10(5)14(11)9(3)4/h7-9H,1-6H3/b12-11+.
What are the key properties of 1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine?
1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine has a molecular weight of 195.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N,3-di(propan-2-yl)imidazol-2-imine is sourced from PubChem (CID 135041239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).