ethane;5-methyl-1-propylimidazole

C9H18N2 — CID 143939633

IUPACethane;5-methyl-1-propylimidazole
SMILESCC.CCCn1cncc1C
InChIInChI=1S/C7H12N2.C2H6/c1-3-4-9-6-8-5-7(9)2;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyXQQKNRAJBDZLRQ-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.63
Rot. Bonds2

About ethane;5-methyl-1-propylimidazole

ethane;5-methyl-1-propylimidazole (PubChem CID 143939633) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;5-methyl-1-propylimidazole.

Molecular Properties

Compound Nameethane;5-methyl-1-propylimidazole
PubChem CID143939633
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;5-methyl-1-propylimidazole
SMILESCC.CCCn1cncc1C
InChIInChI=1S/C7H12N2.C2H6/c1-3-4-9-6-8-5-7(9)2;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyXQQKNRAJBDZLRQ-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1-propylimidazole?
The IUPAC name of ethane;5-methyl-1-propylimidazole (CID 143939633) is ethane;5-methyl-1-propylimidazole.
What is the SMILES notation for ethane;5-methyl-1-propylimidazole?
The canonical SMILES for ethane;5-methyl-1-propylimidazole is CC.CCCn1cncc1C.
What is the InChIKey of ethane;5-methyl-1-propylimidazole?
The InChIKey is XQQKNRAJBDZLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-3-4-9-6-8-5-7(9)2;1-2/h5-6H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;5-methyl-1-propylimidazole?
ethane;5-methyl-1-propylimidazole has a molecular weight of 154.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1-propylimidazole is sourced from PubChem (CID 143939633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).