2-methylbutane;1-methylimidazole

C9H18N2 — CID 126686522

IUPAC2-methylbutane;1-methylimidazole
SMILESCCC(C)C.Cn1ccnc1
InChIInChI=1S/C5H12.C4H6N2/c1-4-5(2)3;1-6-3-2-5-4-6/h5H,4H2,1-3H3;2-4H,1H3
InChIKeyJWMTVSHFHVLRPX-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.47
Rot. Bonds1

About 2-methylbutane;1-methylimidazole

2-methylbutane;1-methylimidazole (PubChem CID 126686522) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methylbutane;1-methylimidazole.

Molecular Properties

Compound Name2-methylbutane;1-methylimidazole
PubChem CID126686522
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-methylbutane;1-methylimidazole
SMILESCCC(C)C.Cn1ccnc1
InChIInChI=1S/C5H12.C4H6N2/c1-4-5(2)3;1-6-3-2-5-4-6/h5H,4H2,1-3H3;2-4H,1H3
InChIKeyJWMTVSHFHVLRPX-UHFFFAOYSA-N
XLogP2.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;1-methylimidazole?
The IUPAC name of 2-methylbutane;1-methylimidazole (CID 126686522) is 2-methylbutane;1-methylimidazole.
What is the SMILES notation for 2-methylbutane;1-methylimidazole?
The canonical SMILES for 2-methylbutane;1-methylimidazole is CCC(C)C.Cn1ccnc1.
What is the InChIKey of 2-methylbutane;1-methylimidazole?
The InChIKey is JWMTVSHFHVLRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H6N2/c1-4-5(2)3;1-6-3-2-5-4-6/h5H,4H2,1-3H3;2-4H,1H3.
What are the key properties of 2-methylbutane;1-methylimidazole?
2-methylbutane;1-methylimidazole has a molecular weight of 154.26 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;1-methylimidazole is sourced from PubChem (CID 126686522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).