butane;4-butan-2-yl-1-methylimidazole;ethene;propane

C17H36N2 — CID 143683578

IUPACbutane;4-butan-2-yl-1-methylimidazole;ethene;propane
SMILESC=C.CCC.CCC(C)c1cn(C)cn1.CCCC
InChIInChI=1S/C8H14N2.C4H10.C3H8.C2H4/c1-4-7(2)8-5-10(3)6-9-8;1-3-4-2;1-3-2;1-2/h5-7H,4H2,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H2
InChIKeyUGNGDBFAXYYCEP-UHFFFAOYSA-N
MW268.49 g/mol
LogP5.96
Rot. Bonds3

About butane;4-butan-2-yl-1-methylimidazole;ethene;propane

butane;4-butan-2-yl-1-methylimidazole;ethene;propane (PubChem CID 143683578) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is butane;4-butan-2-yl-1-methylimidazole;ethene;propane.

Molecular Properties

Compound Namebutane;4-butan-2-yl-1-methylimidazole;ethene;propane
PubChem CID143683578
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Namebutane;4-butan-2-yl-1-methylimidazole;ethene;propane
SMILESC=C.CCC.CCC(C)c1cn(C)cn1.CCCC
InChIInChI=1S/C8H14N2.C4H10.C3H8.C2H4/c1-4-7(2)8-5-10(3)6-9-8;1-3-4-2;1-3-2;1-2/h5-7H,4H2,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H2
InChIKeyUGNGDBFAXYYCEP-UHFFFAOYSA-N
XLogP5.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.49
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-chloropropyl)-1-methylimidazole
CID 130509834
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
CID 107973398
1-(1-methylimidazol-4-yl)propylhydrazine
CID 107978847
(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
CID 162341661
3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine
CID 107977060
1-(1-methylimidazol-4-yl)propane-1,2-diol
CID 130508965
4-dodecan-5-yl-1-methylimidazole
CID 138655717
4-(1-chloro-3-methylbutyl)-1-methylimidazole
CID 130509832
1-(1-methylimidazol-4-yl)nonan-1-amine
CID 107974313
1-(1-methylimidazol-4-yl)ethylhydrazine
CID 107978855
1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine
CID 107973946

Frequently Asked Questions

What is the IUPAC name of butane;4-butan-2-yl-1-methylimidazole;ethene;propane?
The IUPAC name of butane;4-butan-2-yl-1-methylimidazole;ethene;propane (CID 143683578) is butane;4-butan-2-yl-1-methylimidazole;ethene;propane.
What is the SMILES notation for butane;4-butan-2-yl-1-methylimidazole;ethene;propane?
The canonical SMILES for butane;4-butan-2-yl-1-methylimidazole;ethene;propane is C=C.CCC.CCC(C)c1cn(C)cn1.CCCC.
What is the InChIKey of butane;4-butan-2-yl-1-methylimidazole;ethene;propane?
The InChIKey is UGNGDBFAXYYCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C4H10.C3H8.C2H4/c1-4-7(2)8-5-10(3)6-9-8;1-3-4-2;1-3-2;1-2/h5-7H,4H2,1-3H3;3-4H2,1-2H3;3H2,1-2H3;1-2H2.
What are the key properties of butane;4-butan-2-yl-1-methylimidazole;ethene;propane?
butane;4-butan-2-yl-1-methylimidazole;ethene;propane has a molecular weight of 268.49 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;4-butan-2-yl-1-methylimidazole;ethene;propane is sourced from PubChem (CID 143683578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).