ethane;1-methylimidazole;1-methylpiperidine

C14H31N3 — CID 142002166

IUPACethane;1-methylimidazole;1-methylpiperidine
SMILESCC.CC.CN1CCCCC1.Cn1ccnc1
InChIInChI=1S/C6H13N.C4H6N2.2C2H6/c1-7-5-3-2-4-6-7;1-6-3-2-5-4-6;2*1-2/h2-6H2,1H3;2-4H,1H3;2*1-2H3
InChIKeySPLAHEIGVJBJQT-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.57
Rot. Bonds

About ethane;1-methylimidazole;1-methylpiperidine

ethane;1-methylimidazole;1-methylpiperidine (PubChem CID 142002166) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is ethane;1-methylimidazole;1-methylpiperidine.

Molecular Properties

Compound Nameethane;1-methylimidazole;1-methylpiperidine
PubChem CID142002166
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Nameethane;1-methylimidazole;1-methylpiperidine
SMILESCC.CC.CN1CCCCC1.Cn1ccnc1
InChIInChI=1S/C6H13N.C4H6N2.2C2H6/c1-7-5-3-2-4-6-7;1-6-3-2-5-4-6;2*1-2/h2-6H2,1H3;2-4H,1H3;2*1-2H3
InChIKeySPLAHEIGVJBJQT-UHFFFAOYSA-N
XLogP3.57
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylimidazole;1-methylpiperidine?
The IUPAC name of ethane;1-methylimidazole;1-methylpiperidine (CID 142002166) is ethane;1-methylimidazole;1-methylpiperidine.
What is the SMILES notation for ethane;1-methylimidazole;1-methylpiperidine?
The canonical SMILES for ethane;1-methylimidazole;1-methylpiperidine is CC.CC.CN1CCCCC1.Cn1ccnc1.
What is the InChIKey of ethane;1-methylimidazole;1-methylpiperidine?
The InChIKey is SPLAHEIGVJBJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H6N2.2C2H6/c1-7-5-3-2-4-6-7;1-6-3-2-5-4-6;2*1-2/h2-6H2,1H3;2-4H,1H3;2*1-2H3.
What are the key properties of ethane;1-methylimidazole;1-methylpiperidine?
ethane;1-methylimidazole;1-methylpiperidine has a molecular weight of 241.42 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylimidazole;1-methylpiperidine is sourced from PubChem (CID 142002166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).