bis(1,2-dimethylpyrrolidine);ethane

C14H32N2 — CID 142037774

IUPACbis(1,2-dimethylpyrrolidine);ethane
SMILESCC.CC1CCCN1C.CC1CCCN1C
InChIInChI=1S/2C6H13N.C2H6/c2*1-6-4-3-5-7(6)2;1-2/h2*6H,3-5H2,1-2H3;1-2H3
InChIKeyMTVINHGYVMFASE-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.23
Rot. Bonds

About bis(1,2-dimethylpyrrolidine);ethane

bis(1,2-dimethylpyrrolidine);ethane (PubChem CID 142037774) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is bis(1,2-dimethylpyrrolidine);ethane.

Molecular Properties

Compound Namebis(1,2-dimethylpyrrolidine);ethane
PubChem CID142037774
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Namebis(1,2-dimethylpyrrolidine);ethane
SMILESCC.CC1CCCN1C.CC1CCCN1C
InChIInChI=1S/2C6H13N.C2H6/c2*1-6-4-3-5-7(6)2;1-2/h2*6H,3-5H2,1-2H3;1-2H3
InChIKeyMTVINHGYVMFASE-UHFFFAOYSA-N
XLogP3.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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 bis(1,2-dimethylpyrrolidine);ethane?
The IUPAC name of bis(1,2-dimethylpyrrolidine);ethane (CID 142037774) is bis(1,2-dimethylpyrrolidine);ethane.
What is the SMILES notation for bis(1,2-dimethylpyrrolidine);ethane?
The canonical SMILES for bis(1,2-dimethylpyrrolidine);ethane is CC.CC1CCCN1C.CC1CCCN1C.
What is the InChIKey of bis(1,2-dimethylpyrrolidine);ethane?
The InChIKey is MTVINHGYVMFASE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13N.C2H6/c2*1-6-4-3-5-7(6)2;1-2/h2*6H,3-5H2,1-2H3;1-2H3.
What are the key properties of bis(1,2-dimethylpyrrolidine);ethane?
bis(1,2-dimethylpyrrolidine);ethane has a molecular weight of 228.42 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-dimethylpyrrolidine);ethane is sourced from PubChem (CID 142037774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).