butane;bis(1-methylpyrrolidine)

C14H32N2 — CID 66992986

IUPACbutane;bis(1-methylpyrrolidine)
SMILESCCCC.CN1CCCC1.CN1CCCC1
InChIInChI=1S/2C5H11N.C4H10/c2*1-6-4-2-3-5-6;1-3-4-2/h2*2-5H2,1H3;3-4H2,1-2H3
InChIKeyORLLOVKALKBJHS-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.23
Rot. Bonds1

About butane;bis(1-methylpyrrolidine)

butane;bis(1-methylpyrrolidine) (PubChem CID 66992986) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is butane;bis(1-methylpyrrolidine).

Molecular Properties

Compound Namebutane;bis(1-methylpyrrolidine)
PubChem CID66992986
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Namebutane;bis(1-methylpyrrolidine)
SMILESCCCC.CN1CCCC1.CN1CCCC1
InChIInChI=1S/2C5H11N.C4H10/c2*1-6-4-2-3-5-6;1-3-4-2/h2*2-5H2,1H3;3-4H2,1-2H3
InChIKeyORLLOVKALKBJHS-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butane;bis(1-methylpyrrolidine)?
The IUPAC name of butane;bis(1-methylpyrrolidine) (CID 66992986) is butane;bis(1-methylpyrrolidine).
What is the SMILES notation for butane;bis(1-methylpyrrolidine)?
The canonical SMILES for butane;bis(1-methylpyrrolidine) is CCCC.CN1CCCC1.CN1CCCC1.
What is the InChIKey of butane;bis(1-methylpyrrolidine)?
The InChIKey is ORLLOVKALKBJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11N.C4H10/c2*1-6-4-2-3-5-6;1-3-4-2/h2*2-5H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;bis(1-methylpyrrolidine)?
butane;bis(1-methylpyrrolidine) has a molecular weight of 228.42 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;bis(1-methylpyrrolidine) is sourced from PubChem (CID 66992986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).