1-butyl-3-methylimidazolidine

C8H18N2 — CID 23064846

IUPAC1-butyl-3-methylimidazolidine
SMILESCCCCN1CCN(C)C1
InChIInChI=1S/C8H18N2/c1-3-4-5-10-7-6-9(2)8-10/h3-8H2,1-2H3
InChIKeyGYDNNJQLBOPSBD-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.99
Rot. Bonds3

About 1-butyl-3-methylimidazolidine

1-butyl-3-methylimidazolidine (PubChem CID 23064846) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-butyl-3-methylimidazolidine.

Molecular Properties

Compound Name1-butyl-3-methylimidazolidine
PubChem CID23064846
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-butyl-3-methylimidazolidine
SMILESCCCCN1CCN(C)C1
InChIInChI=1S/C8H18N2/c1-3-4-5-10-7-6-9(2)8-10/h3-8H2,1-2H3
InChIKeyGYDNNJQLBOPSBD-UHFFFAOYSA-N
XLogP0.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methylimidazolidine?
The IUPAC name of 1-butyl-3-methylimidazolidine (CID 23064846) is 1-butyl-3-methylimidazolidine.
What is the SMILES notation for 1-butyl-3-methylimidazolidine?
The canonical SMILES for 1-butyl-3-methylimidazolidine is CCCCN1CCN(C)C1.
What is the InChIKey of 1-butyl-3-methylimidazolidine?
The InChIKey is GYDNNJQLBOPSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-4-5-10-7-6-9(2)8-10/h3-8H2,1-2H3.
What are the key properties of 1-butyl-3-methylimidazolidine?
1-butyl-3-methylimidazolidine has a molecular weight of 142.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylimidazolidine is sourced from PubChem (CID 23064846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).