ethane;methane;1-propan-2-ylimidazole

C9H20N2 — CID 159501500

IUPACethane;methane;1-propan-2-ylimidazole
SMILESC.CC.CC(C)n1ccnc1
InChIInChI=1S/C6H10N2.C2H6.CH4/c1-6(2)8-4-3-7-5-8;1-2;/h3-6H,1-2H3;1-2H3;1H4
InChIKeyLZLBTPHFOUXSIE-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.13
Rot. Bonds1

About ethane;methane;1-propan-2-ylimidazole

ethane;methane;1-propan-2-ylimidazole (PubChem CID 159501500) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;methane;1-propan-2-ylimidazole.

Molecular Properties

Compound Nameethane;methane;1-propan-2-ylimidazole
PubChem CID159501500
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;methane;1-propan-2-ylimidazole
SMILESC.CC.CC(C)n1ccnc1
InChIInChI=1S/C6H10N2.C2H6.CH4/c1-6(2)8-4-3-7-5-8;1-2;/h3-6H,1-2H3;1-2H3;1H4
InChIKeyLZLBTPHFOUXSIE-UHFFFAOYSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

carbonic acid;1-propan-2-ylimidazole
CID 175084414
1-(1-chloroethyl)imidazole
CID 22400425
1-imidazol-1-ylethanol
CID 18366448
methane;1-propan-2-ylimidazole;4-propan-2-ylpyrrolo[3,2-b]pyridine
CID 159677726
1-imidazol-1-yl-N,N-dimethylethanamine
CID 123720804
1-(1-nitrosoethyl)imidazole
CID 54257439
1-(dibromomethyl)imidazole
CID 175175892
2-imidazol-1-ylpropanoic acid
CID 16788764
1-(3-ethylpentan-2-yl)imidazole
CID 174620112
3-imidazol-1-yl-2-methylbutan-1-ol
CID 175456852
1-(4,4-dimethylpentan-2-yl)imidazole
CID 118984043
1-(2,2,5-trimethylhexan-3-yl)imidazole
CID 91156028

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-propan-2-ylimidazole?
The IUPAC name of ethane;methane;1-propan-2-ylimidazole (CID 159501500) is ethane;methane;1-propan-2-ylimidazole.
What is the SMILES notation for ethane;methane;1-propan-2-ylimidazole?
The canonical SMILES for ethane;methane;1-propan-2-ylimidazole is C.CC.CC(C)n1ccnc1.
What is the InChIKey of ethane;methane;1-propan-2-ylimidazole?
The InChIKey is LZLBTPHFOUXSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C2H6.CH4/c1-6(2)8-4-3-7-5-8;1-2;/h3-6H,1-2H3;1-2H3;1H4.
What are the key properties of ethane;methane;1-propan-2-ylimidazole?
ethane;methane;1-propan-2-ylimidazole has a molecular weight of 156.27 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-propan-2-ylimidazole is sourced from PubChem (CID 159501500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).